UCSF

ZINC64352877

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2011 18 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) 1.79 6.08 -40.12 1 4 1 42 269.39 3
Mid Mid (pH 6-8) 1.79 4.29 -8.91 0 4 0 41 268.382 3

Activity (Go SEA)

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