UCSF

ZINC69818896

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 0.46 2.64 -33.68 1 4 1 26 217.333 6
Hi High (pH 8-9.5) 0.46 0.18 -4.18 0 4 0 25 216.325 6
Lo Low (pH 4.5-6) 0.46 4.91 -95.12 2 4 2 27 218.341 6

Activity (Go SEA)

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