UCSF

ZINC20434653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 19 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) -0.07 1.96 -48.99 3 6 1 83 271.337 4
Hi High (pH 8-9.5) -0.07 0.65 -18.67 2 6 0 79 270.329 4

Activity (Go SEA)

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