UCSF

ZINC37017311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 2.40 8.79 -40.55 2 4 1 47 310.219 4
Mid Mid (pH 6-8) 2.40 7.84 -10.48 1 4 0 43 309.211 4

Activity (Go SEA)

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