UCSF

ZINC35733649

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 13 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) 1.82 5.09 -29.73 2 2 1 16 183.319 4
Hi High (pH 8-9.5) 1.82 2.8 -0.81 1 2 0 15 182.311 4
Lo Low (pH 4.5-6) 1.82 3.98 -35.52 2 2 1 20 183.319 4
Lo Low (pH 4.5-6) 1.82 6.28 -104.11 3 2 2 21 184.327 4

Activity (Go SEA)

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