UCSF

ZINC33781188

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 4.75 12.96 -74.03 1 6 0 74 491.415 10
Lo Low (pH 4.5-6) 4.75 11.66 -60.53 2 6 1 71 492.423 10

Activity (Go SEA)

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