UCSF

ZINC20198956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 1.48 2.35 -39.5 3 4 1 59 267.374 7
Mid Mid (pH 6-8) 1.48 0.96 -11.48 2 4 0 54 266.366 7

Activity (Go SEA)

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