UCSF

ZINC19422410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 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) -0.12 2.48 -93.03 5 4 2 69 192.266 2
Hi High (pH 8-9.5) -0.12 2.52 -35.8 4 4 1 67 191.258 2

Activity (Go SEA)

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