UCSF

ZINC04155372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 24 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) 6.28 -1.31 -5.72 1 3 0 29 404.739 3
Mid Mid (pH 6-8) 6.28 -1.13 -27.87 2 3 1 30 405.747 3

Activity (Go SEA)

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