UCSF

ZINC34674248

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 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) 1.35 4.36 -41.57 2 5 1 61 290.387 6
Mid Mid (pH 6-8) 1.35 2.08 -12.36 1 5 0 60 289.379 6

Activity (Go SEA)

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