UCSF

ZINC00209045

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.19 12.04 -13.28 0 4 0 43 288.354 2
Mid Mid (pH 6-8) 3.19 12.69 -26.46 2 4 1 48 289.362 2
Mid Mid (pH 6-8) 3.19 12.51 -26.3 1 4 1 44 289.362 2
Lo Low (pH 4.5-6) 3.19 12.38 -33.36 1 4 1 45 289.362 2

Activity (Go SEA)

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