UCSF

ZINC19431453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 12 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) -0.68 1.03 -11.12 1 4 0 42 172.228 3
Mid Mid (pH 6-8) -0.68 2.41 -54.48 2 4 1 46 173.236 3

Activity (Go SEA)

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