UCSF

ZINC44685323

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.52 5.06 -44.93 2 4 1 38 275.372 4
Hi High (pH 8-9.5) 1.52 3.88 -5.72 1 4 0 34 274.364 4
Mid Mid (pH 6-8) 1.52 6.23 -35.47 2 4 1 35 275.372 4
Lo Low (pH 4.5-6) 1.52 7.4 -116.57 3 4 2 40 276.38 4

Activity (Go SEA)

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