UCSF

ZINC36159999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.70 8.99 -13.56 2 7 0 75 440.979 3
Mid Mid (pH 6-8) 3.70 9.41 -30.61 3 7 1 76 441.987 3
Lo Low (pH 4.5-6) 3.70 11.23 -39.97 3 7 1 76 441.987 3
Lo Low (pH 4.5-6) 3.70 11.65 -102.77 4 7 2 77 442.995 3

Activity (Go SEA)

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