UCSF

ZINC04647476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2005 35 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) 2.17 8.57 -35.27 2 8 0 109 491.569 8
Mid Mid (pH 6-8) 2.17 8.6 -72.81 1 8 -1 111 490.561 8
Mid Mid (pH 6-8) 3.48 7.39 -60.85 1 8 -1 112 490.561 8

Activity (Go SEA)

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