UCSF

ZINC38001578

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 12 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) 3.53 6.18 -37.52 2 1 1 17 247.181 4
Mid Mid (pH 6-8) 3.53 4.98 -2.17 1 1 0 12 246.173 4

Activity (Go SEA)

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