UCSF

ZINC26654388

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 33 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) 7.46 19.9 -132.8 2 2 2 9 440.675 8
Mid Mid (pH 6-8) 7.46 17.39 -42.67 1 2 1 8 439.667 8
Mid Mid (pH 6-8) 7.46 17.82 -43.37 1 2 1 8 439.667 8

Activity (Go SEA)

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