UCSF

ZINC13751308

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 26 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) 3.78 6.83 -42.95 0 6 -1 72 369.422 6
Ref Reference (pH 7) 4.27 7.39 -11.52 1 6 0 73 370.43 5

Activity (Go SEA)

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