UCSF

ZINC49235639

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 17 Yes

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) 0.11 4.7 -42.88 3 5 1 64 237.327 4
Hi High (pH 8-9.5) 0.11 4.61 -10.4 2 5 0 59 236.319 4
Lo Low (pH 4.5-6) 0.11 5.22 -107.98 4 5 2 65 238.335 4

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

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