UCSF

ZINC39952176

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 0.93 3.12 -47.65 3 5 1 60 290.387 4
Hi High (pH 8-9.5) 0.93 2.81 -6.99 2 5 0 59 289.379 4

Activity (Go SEA)

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