UCSF

ZINC45074519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 16 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) 3.79 8.94 -52.22 0 3 -1 43 220.292 4
Lo Low (pH 4.5-6) 3.79 8.47 -40.17 1 3 0 45 221.3 4

Activity (Go SEA)

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