UCSF

ZINC48908540

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 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) 3.91 7.86 -23.47 2 3 1 38 271.384 3
Mid Mid (pH 6-8) 3.91 7.42 -6.84 1 3 0 36 270.376 3

Activity (Go SEA)

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