UCSF

ZINC01675057

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

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) 0.60 6.7 -21.5 0 3 0 51 184.235 5
Mid Mid (pH 6-8) 1.18 6.77 -46.28 0 3 -1 57 183.227 4

Activity (Go SEA)

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