UCSF

ZINC16737218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 29 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) 2.28 4.7 -15.88 2 6 0 87 403.381 7
Mid Mid (pH 6-8) 1.70 5.4 -20.36 1 6 0 84 403.381 7

Activity (Go SEA)

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