UCSF

ZINC17112501

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 26 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) 3.27 5.35 -14.6 3 7 0 91 372.812 3
Mid Mid (pH 6-8) 2.54 -0.7 -46.03 4 7 1 103 373.82 4

Activity (Go SEA)

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