UCSF

ZINC19422692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 1.74 2.76 -51.51 4 5 1 80 280.392 2
Hi High (pH 8-9.5) 1.74 1.49 -20.49 3 5 0 75 279.384 2

Activity (Go SEA)

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