UCSF

ZINC41707245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.58 2.99 -15.46 3 5 0 74 285.347 5
Lo Low (pH 4.5-6) 1.58 3.46 -42.93 4 5 1 75 286.355 5

Activity (Go SEA)

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