UCSF

ZINC15841913

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 23 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) 4.21 11.1 -19.61 0 3 0 33 302.377 1
Lo Low (pH 4.5-6) 4.21 11.41 -26.44 1 3 1 34 303.385 1

Activity (Go SEA)

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