UCSF

ZINC45630725

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 2.05 5.62 -33.95 2 2 1 16 195.33 3
Hi High (pH 8-9.5) 2.05 3.39 -0.9 1 2 0 15 194.322 3
Lo Low (pH 4.5-6) 2.05 4.67 -37.12 2 2 1 20 195.33 3
Lo Low (pH 4.5-6) 2.05 6.88 -109.99 3 2 2 21 196.338 3

Activity (Go SEA)

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