UCSF

ZINC19595167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 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) 3.95 9.46 -98.93 3 4 2 32 387.612 5
Mid Mid (pH 6-8) 3.95 7.08 -41.59 2 4 1 31 386.604 5

Activity (Go SEA)

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