UCSF

ZINC19743079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 26 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) 1.75 7.95 -44.27 2 5 1 48 360.522 6
Mid Mid (pH 6-8) 1.75 7.4 -39.75 2 5 1 48 360.522 6

Activity (Go SEA)

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