UCSF

ZINC37005139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.26 2.04 -55.87 5 4 1 77 263.361 3
Mid Mid (pH 6-8) 2.26 1.76 -7.75 4 4 0 75 262.353 3

Activity (Go SEA)

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