UCSF

ZINC11536113

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2008 22 No

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) 1.96 7.48 -11.31 1 5 0 71 330.438 3
Mid Mid (pH 6-8) 1.96 7.38 -107.26 3 5 2 74 332.454 3

Activity (Go SEA)

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