UCSF

ZINC13467957

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 22 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) 2.75 9.08 -12.36 1 7 0 82 319.752 4
Lo Low (pH 4.5-6) 2.93 9.37 -30.49 2 7 1 87 320.76 4

Activity (Go SEA)

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