UCSF

ZINC16733980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 3.27 10.67 -53.9 0 7 -1 92 455.49 9
Mid Mid (pH 6-8) 3.72 8.8 -25.73 1 7 0 89 456.498 8
Mid Mid (pH 6-8) 2.69 9.8 -18.03 0 7 0 86 456.498 9
Lo Low (pH 4.5-6) 3.72 9.08 -60.04 2 7 1 90 457.506 8
Lo Low (pH 4.5-6) 2.69 10.08 -61.27 1 7 1 87 457.506 9

Activity (Go SEA)

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