UCSF

ZINC37007182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.01 7.36 -6.29 3 3 0 55 288.435 4
Mid Mid (pH 6-8) 2.01 7.68 -43.92 4 3 1 57 289.443 4

Activity (Go SEA)

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