UCSF

ZINC13735051

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 1.66 5.64 -49.81 1 9 -1 114 356.362 6
Ref Reference (pH 7) 1.20 7.11 -24.97 2 9 0 111 357.37 6

Activity (Go SEA)

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