UCSF

ZINC23043539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 22 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) 1.11 8.57 -46.78 1 7 1 79 300.342 4
Mid Mid (pH 6-8) 1.11 6.24 -11.35 0 7 0 78 299.334 4

Activity (Go SEA)

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