UCSF

ZINC32204542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 18 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) 1.46 3.37 -9.94 3 4 0 68 306.163 3
Lo Low (pH 4.5-6) 1.46 3.8 -45.73 4 4 1 69 307.171 3

Activity (Go SEA)

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