UCSF

ZINC37051808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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 7.44 -34.32 2 4 1 34 265.425 5
Mid Mid (pH 6-8) 1.12 5.27 -37.98 2 4 1 38 265.425 5
Mid Mid (pH 6-8) 1.12 7.8 -114.66 3 4 2 39 266.433 5

Activity (Go SEA)

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