UCSF

ZINC36804922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 0.85 4.51 -40.58 2 4 1 44 234.27 8
Hi High (pH 8-9.5) 0.85 3.19 -7.88 1 4 0 39 233.262 8

Activity (Go SEA)

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