UCSF

ZINC20128962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 0.91 5.23 -37.07 2 3 1 29 220.34 6
Mid Mid (pH 6-8) 0.91 6.65 -113.14 3 3 2 34 221.348 6
Mid Mid (pH 6-8) 0.91 4.12 -47.14 2 3 1 33 220.34 6

Activity (Go SEA)

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