UCSF

ZINC33803906

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 5.01 12.09 -42.57 0 7 -1 95 502.547 8
Lo Low (pH 4.5-6) 5.01 10.96 -22.47 1 7 0 93 503.555 8

Activity (Go SEA)

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