UCSF

ZINC44018291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 39 No

Popular Name: benzhydrylidene-[(S)-hydroxy-phenyl-(2-pyridyl)methyl]BLAHdione benzhydrylidene-[(S)-hydroxy-phe…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 14.81 -10.45 2 5 0 79 510.593 5 ↓
Hi High (pH 8-9.5) 4.66 12.29 -49.02 1 5 -1 86 509.585 5 ↓
Lo Low (pH 4.5-6) 4.47 13.04 -32.51 3 5 1 81 511.601 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.