UCSF

ZINC13801386

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 28 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) 2.39 2.95 -44.76 1 8 -1 125 414.444 3
Mid Mid (pH 6-8) 1.93 4.76 -13.03 2 8 0 122 415.452 3
Lo Low (pH 4.5-6) 2.44 3.72 -19.82 2 8 0 121 415.452 3

Activity (Go SEA)

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