UCSF

ZINC37807588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 3.49 7.19 -49.84 3 3 1 48 307.845 4
Mid Mid (pH 6-8) 3.49 7.76 -6.19 2 3 0 46 306.837 4

Activity (Go SEA)

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