UCSF

ZINC33422339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 32 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) 2.76 10.94 -74.78 1 7 0 91 433.508 9
Lo Low (pH 4.5-6) 2.76 10.12 -49.32 2 7 1 88 434.516 9

Activity (Go SEA)

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