UCSF

ZINC36790407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.25 2.89 -96.95 4 3 2 41 190.331 7
Hi High (pH 8-9.5) 1.25 1.45 -32.12 3 3 1 37 189.323 7
Hi High (pH 8-9.5) 1.25 3.44 -40.08 3 3 1 44 189.323 7

Activity (Go SEA)

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