UCSF

ZINC00595552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 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) 4.44 -1.61 -10.67 2 4 0 64 358.47 4
Lo Low (pH 4.5-6) 4.44 -1.22 -170.58 5 4 3 68 361.494 4
Lo Low (pH 4.5-6) 4.44 -1.35 -92.2 4 4 2 67 360.486 4
Lo Low (pH 4.5-6) 4.44 -1.34 -85.37 4 4 2 67 360.486 4
Lo Low (pH 4.5-6) 4.44 -1.48 -30.18 3 4 1 65 359.478 4
Lo Low (pH 4.5-6) 4.44 -1.35 -80.77 4 4 2 67 360.486 4
Lo Low (pH 4.5-6) 4.44 -1.48 -36.52 3 4 1 65 359.478 4
Lo Low (pH 4.5-6) 4.44 -1.47 -32.16 3 4 1 65 359.478 4

Activity (Go SEA)

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