UCSF

ZINC40979352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 14 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) 1.15 2.02 -7.73 4 3 0 65 205.286 1
Lo Low (pH 4.5-6) 1.15 2.38 -27.14 5 3 1 66 206.294 1

Activity (Go SEA)

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