UCSF

ZINC19423873

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) 1.12 3.69 -102.72 5 3 2 56 171.288 3
Mid Mid (pH 6-8) -1.80 3.69 -29.09 5 3 1 56 170.28 3

Activity (Go SEA)

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