UCSF

ZINC13644153

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 4.33 4.95 -9.1 2 4 0 65 314.341 2
Mid Mid (pH 6-8) 3.84 4.85 -45.82 1 4 -1 64 313.333 3
Lo Low (pH 4.5-6) 3.84 5.3 -15.83 2 4 0 62 314.341 3

Activity (Go SEA)

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