UCSF

ZINC11640051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 22 No

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) 4.69 7.35 -8.16 1 4 0 58 350.23 2
Ref Reference (pH 7) 4.20 6.99 -35.63 0 4 -1 57 349.222 3
Hi High (pH 8-9.5) 5.15 5.18 -42.25 0 4 -1 61 349.222 2
Hi High (pH 8-9.5) 5.15 5.47 -39.81 0 4 -1 61 349.222 2
Lo Low (pH 4.5-6) 4.69 7.44 -47.22 2 4 1 59 351.238 2

Activity (Go SEA)

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