UCSF

ZINC00904157

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 21 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) 3.47 -0.1 -11.42 1 4 0 42 280.375 3
Mid Mid (pH 6-8) 3.47 0.08 -26.79 2 4 1 43 281.383 3
Lo Low (pH 4.5-6) 3.47 0.01 -36.58 2 4 1 43 281.383 3
Lo Low (pH 4.5-6) 3.47 0.19 -80.37 3 4 2 44 282.391 3

Activity (Go SEA)

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