UCSF

ZINC05084127

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 25 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) 3.33 7.42 -20.06 1 5 0 64 375.45 4
Mid Mid (pH 6-8) 3.33 7.45 -64.44 0 5 -1 66 374.442 4
Lo Low (pH 4.5-6) 3.33 7.86 -39.15 2 5 1 65 376.458 4

Activity (Go SEA)

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