UCSF

ZINC42430651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.03 2.84 -50.07 4 5 0 97 226.276 3
Lo Low (pH 4.5-6) 0.03 0.9 -55.67 5 5 1 94 227.284 3

Activity (Go SEA)

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