UCSF

ZINC37810070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 3.67 6.97 -44.53 3 3 1 48 255.426 6
Mid Mid (pH 6-8) 3.67 7.1 -6.16 2 3 0 46 254.418 6

Activity (Go SEA)

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