UCSF

ZINC32740398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 22 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) 1.92 9.87 -38.53 2 4 1 34 299.442 5
Mid Mid (pH 6-8) 1.92 8.71 -50.92 2 4 1 38 299.442 5
Lo Low (pH 4.5-6) 1.92 10.38 -71.65 3 4 2 36 300.45 5
Lo Low (pH 4.5-6) 1.92 11.45 -167.06 4 4 3 40 301.458 5
Lo Low (pH 4.5-6) 1.92 9.19 -90.6 3 4 2 39 300.45 5

Activity (Go SEA)

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