UCSF

ZINC37867958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2009 23 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) 3.53 7.85 -10.97 1 4 0 47 310.397 7
Mid Mid (pH 6-8) 3.53 8.15 -31.07 2 4 1 49 311.405 7

Activity (Go SEA)

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