UCSF

ZINC40103910

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 3.71 9.38 -15.07 1 6 0 56 386.54 7
Mid Mid (pH 6-8) 3.71 11.54 -49.26 2 6 1 57 387.548 7

Activity (Go SEA)

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