UCSF

ZINC33582778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 2.08 10.95 -56.61 1 9 0 124 438.484 10
Lo Low (pH 4.5-6) 2.08 9.82 -61.44 2 9 1 121 439.492 10

Activity (Go SEA)

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