UCSF

ZINC19537627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 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) 1.55 5.85 -40.08 1 4 1 26 265.377 4
Hi High (pH 8-9.5) 1.55 4.02 -6.38 0 4 0 25 264.369 4
Mid Mid (pH 6-8) 1.55 8.03 -115.65 2 4 2 27 266.385 4

Activity (Go SEA)

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