UCSF

ZINC12032546

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 22 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) 5.72 9.08 -7.82 1 3 0 45 328.824 2
Mid Mid (pH 6-8) 5.23 9.26 -40.68 0 3 -1 44 327.816 3
Lo Low (pH 4.5-6) 5.23 9.68 -12.96 1 3 0 42 328.824 3

Activity (Go SEA)

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