UCSF

ZINC37856311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.01 -0.57 -109.93 0 6 -2 97 319.367 3
Mid Mid (pH 6-8) 2.01 -1.35 -49.9 1 6 -1 94 320.375 3
Mid Mid (pH 6-8) 2.01 -0.72 -46.4 1 6 -1 95 320.375 3
Mid Mid (pH 6-8) 2.01 -0.07 -79.25 1 6 -1 98 320.375 3
Lo Low (pH 4.5-6) 1.55 1.55 -12.89 2 6 0 92 321.383 3
Lo Low (pH 4.5-6) 1.55 2.05 -35.05 2 6 0 95 321.383 3

Activity (Go SEA)

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