UCSF

ZINC13704637

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 4.60 6.47 -10.18 2 6 0 81 415.493 4
Lo Low (pH 4.5-6) 4.60 6.84 -50.49 3 6 1 82 416.501 4

Activity (Go SEA)

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