UCSF

ZINC34369883

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 10 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) 0.86 4.4 -101.9 3 2 2 21 144.262 3
Mid Mid (pH 6-8) 0.86 2.29 -34.72 2 2 1 20 143.254 3
Mid Mid (pH 6-8) 0.86 4.63 -27.82 2 2 1 16 143.254 3

Activity (Go SEA)

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