UCSF

ZINC39119704

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 1.31 2.16 -30.48 5 3 1 66 160.2 0
Mid Mid (pH 6-8) 1.31 1.69 -6.1 4 3 0 65 159.192 0

Activity (Go SEA)

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