UCSF

ZINC45284551

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 30 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) 4.97 14.02 -56.4 0 4 -1 60 412.594 4
Lo Low (pH 4.5-6) 4.97 12.03 -10.34 1 4 0 58 413.602 4

Activity (Go SEA)

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