UCSF

ZINC51783237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 2.54 4.93 -36.73 2 2 1 20 197.346 3
Hi High (pH 8-9.5) 2.54 3.27 -0.66 1 2 0 15 196.338 3
Mid Mid (pH 6-8) 2.54 5.42 -32.99 2 2 1 16 197.346 3
Lo Low (pH 4.5-6) 2.54 6.83 -107.56 3 2 2 21 198.354 3

Activity (Go SEA)

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