UCSF

ZINC36876510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 1.12 4.93 -95.85 4 3 2 47 195.31 2
Mid Mid (pH 6-8) 1.12 4.49 -42.28 3 3 1 45 194.302 2
Mid Mid (pH 6-8) 1.12 4.53 -42.55 3 3 1 45 194.302 2
Lo Low (pH 4.5-6) 1.12 4.95 -96.14 4 3 2 47 195.31 2

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

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