UCSF

ZINC61980616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2011 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) -0.47 1.5 -52.18 4 6 1 101 247.278 4
Mid Mid (pH 6-8) -0.47 1.09 -12.52 3 6 0 99 246.27 4

Activity (Go SEA)

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