UCSF

ZINC69979996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 18 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) 2.48 8.54 -78.57 2 3 2 12 255.45 5
Hi High (pH 8-9.5) 2.48 6.18 -33.43 1 3 1 11 254.442 5

Activity (Go SEA)

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