UCSF

ZINC40473452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 2.22 6.76 -45.26 1 4 1 40 260.26 7
Mid Mid (pH 6-8) 2.22 4.52 -10.21 0 4 0 39 259.252 7

Activity (Go SEA)

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