UCSF

ZINC35631096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) 1.59 5.54 -41.53 2 3 1 28 239.314 2
Mid Mid (pH 6-8) 1.59 3.16 -3.1 1 3 0 27 238.306 2

Activity (Go SEA)

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