UCSF

ZINC20929489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 4.58 9.44 -35.83 2 3 1 35 365.291 8
Hi High (pH 8-9.5) 4.58 7.95 -4.87 1 3 0 30 364.283 8

Activity (Go SEA)

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