UCSF

ZINC00392843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 14 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) 0.13 6.15 -11.03 0 4 0 60 198.218 4
Mid Mid (pH 6-8) 0.71 6.22 -40.42 0 4 -1 66 197.21 4

Activity (Go SEA)

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