UCSF

ZINC44685701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 1.77 7.08 -29.98 2 2 1 16 209.357 4
Hi High (pH 8-9.5) 1.77 4.69 -0.85 1 2 0 15 208.349 4
Lo Low (pH 4.5-6) 1.77 5.52 -33.58 2 2 1 20 209.357 4
Lo Low (pH 4.5-6) 1.77 7.91 -104.98 3 2 2 21 210.365 4

Activity (Go SEA)

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