UCSF

ZINC04685748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 23 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) 2.81 10.52 -46.69 1 3 1 25 315.412 3
Mid Mid (pH 6-8) 2.81 8.36 -11.17 0 3 0 24 314.404 3

Activity (Go SEA)

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