UCSF

ZINC33772151

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.84 11.35 -67.05 1 7 0 87 449.551 12
Lo Low (pH 4.5-6) 2.84 10.05 -53.17 2 7 1 84 450.559 12

Activity (Go SEA)

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