UCSF

ZINC09043354

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 No

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) 3.14 8.76 -60.96 1 9 -1 129 493.517 8
Mid Mid (pH 6-8) 2.55 -1.34 -15.83 1 9 0 123 494.525 8
Lo Low (pH 4.5-6) 3.14 7.93 -20.2 2 9 0 126 494.525 8

Activity (Go SEA)

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