UCSF

ZINC19607239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 0.54 4.23 -38.76 1 3 1 21 194.302 5
Hi High (pH 8-9.5) 0.54 1.74 -3.93 0 3 0 19 193.294 5
Mid Mid (pH 6-8) 0.54 4.36 -37.89 1 3 1 21 194.302 5
Lo Low (pH 4.5-6) 0.54 4.8 -80.92 2 3 2 22 195.31 5
Lo Low (pH 4.5-6) 0.54 6.56 -112.23 2 3 2 22 195.31 5

Activity (Go SEA)

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