UCSF

ZINC37335113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 No

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) 0.19 4.56 -36.65 2 6 1 76 256.326 7
Hi High (pH 8-9.5) 0.65 1.81 -46.4 1 6 0 79 255.318 7

Activity (Go SEA)

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