UCSF

ZINC41162038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 0.40 4.21 -46.64 3 5 1 66 245.306 2
Hi High (pH 8-9.5) 0.40 3.83 -7.65 2 5 0 64 244.298 2
Mid Mid (pH 6-8) 0.40 4.68 -84.1 4 5 2 67 246.314 2

Activity (Go SEA)

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