UCSF

ZINC40554389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 25 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) 1.42 5.86 -13.96 0 6 0 72 336.395 4
Lo Low (pH 4.5-6) 1.42 6.31 -51.06 1 6 1 73 337.403 4

Activity (Go SEA)

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