UCSF

ZINC00540122

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 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) 1.38 0.65 -43.61 4 6 1 84 264.305 4
Mid Mid (pH 6-8) 1.57 -1.84 -35.12 3 6 0 90 263.297 4

Activity (Go SEA)

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