UCSF

ZINC20433186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 No

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) -0.73 4.18 -51.95 3 4 1 51 230.357 3
Hi High (pH 8-9.5) -0.73 1.76 -19.93 2 4 0 50 229.349 3

Activity (Go SEA)

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