UCSF

ZINC31813209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 26 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) 4.62 10.01 -51.62 2 4 1 44 348.422 6
Hi High (pH 8-9.5) 4.62 8.74 -8.32 1 4 0 40 347.414 6

Activity (Go SEA)

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