UCSF

ZINC33770500

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.88 11.15 -68.86 1 7 0 87 437.54 11
Lo Low (pH 4.5-6) 2.88 9.86 -54.4 2 7 1 84 438.548 11

Activity (Go SEA)

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