UCSF

ZINC65461644

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2011 21 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) 1.56 4.18 -32.6 2 5 1 44 291.371 3
Lo Low (pH 4.5-6) 1.56 5.62 -109 3 5 2 49 292.379 3

Activity (Go SEA)

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