UCSF

ZINC33763933

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 4.56 13.47 -79.37 1 8 0 96 506.599 12
Hi High (pH 8-9.5) 4.56 10.95 -59.73 0 8 -1 95 505.591 12
Lo Low (pH 4.5-6) 4.56 12.51 -57.08 2 8 1 94 507.607 12

Activity (Go SEA)

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