UCSF

ZINC37126218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.93 6.31 -5.23 2 3 0 41 326.223 5
Mid Mid (pH 6-8) 4.93 7.05 -37.9 1 3 -1 44 325.215 5

Activity (Go SEA)

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