UCSF

ZINC20577597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 15 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) -0.49 4.19 -52.85 3 3 1 54 216.207 4
Mid Mid (pH 6-8) -0.49 3.89 -9.36 2 3 0 52 215.199 4

Activity (Go SEA)

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