UCSF

ZINC34397817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 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) 1.73 6.9 -44.72 1 4 -1 69 246.286 4
Mid Mid (pH 6-8) 1.73 4.94 -7.1 2 4 0 66 247.294 4

Activity (Go SEA)

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