UCSF

ZINC51397706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 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) 0.64 3.38 -42.19 3 5 1 62 254.354 9
Hi High (pH 8-9.5) 0.64 2.98 -8.24 2 5 0 61 253.346 9
Lo Low (pH 4.5-6) 0.64 3.67 -102.03 4 5 2 63 255.362 9
Lo Low (pH 4.5-6) 0.64 3.27 -24.88 3 5 1 62 254.354 9

Activity (Go SEA)

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