UCSF

ZINC37044105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.27 3.64 -104.88 1 9 -2 150 309.259 5
Mid Mid (pH 6-8) 1.27 3.64 -48.8 2 9 -1 148 310.267 5

Activity (Go SEA)

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