UCSF

ZINC33552390

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 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) 4.62 11.41 -61.18 0 8 -1 99 502.572 7
Lo Low (pH 4.5-6) 4.62 10.59 -16.29 1 8 0 96 503.58 7

Activity (Go SEA)

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