UCSF

ZINC33697603

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 4.02 13.39 -56.65 1 7 1 64 526.704 10
Hi High (pH 8-9.5) 4.02 10.83 -17.95 0 7 0 62 525.696 10

Activity (Go SEA)

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