UCSF

ZINC19807503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.26 6.33 -4.08 1 1 0 12 251.679 5
Mid Mid (pH 6-8) 3.26 7.56 -47.64 2 1 1 17 252.687 5

Activity (Go SEA)

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