UCSF

ZINC20968286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 5.57 12.21 -39.88 2 4 1 35 379.609 17
Mid Mid (pH 6-8) 5.57 11.56 -48.56 2 4 1 38 379.609 17

Activity (Go SEA)

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