UCSF

ZINC33809199

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 22 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) 6.32 13.18 -35.4 1 2 1 14 306.514 11
Hi High (pH 8-9.5) 6.32 10.81 -3.02 0 2 0 12 305.506 11

Activity (Go SEA)

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