UCSF

ZINC45301996

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 30 Yes

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) 3.66 9.76 -42.59 2 5 1 50 409.598 8
Lo Low (pH 4.5-6) 3.66 12.2 -115.87 3 5 2 51 410.606 8

Activity (Go SEA)

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