UCSF

ZINC42616112

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 21 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) 1.56 7.07 -39.99 3 3 1 40 291.459 9
Hi High (pH 8-9.5) 1.56 6.33 -2.27 2 3 0 38 290.451 9
Lo Low (pH 4.5-6) 1.56 8.62 -125.46 4 3 2 41 292.467 9

Activity (Go SEA)

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