UCSF

ZINC13989971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 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) 2.03 7.68 -46.51 1 5 1 39 356.49 9
Lo Low (pH 4.5-6) 2.03 10.2 -196.94 3 5 3 41 358.506 9

Activity (Go SEA)

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