UCSF

ZINC02638970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 23 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) 2.61 7.78 -47.37 2 4 1 43 316.421 8
Hi High (pH 8-9.5) 2.61 5.47 -8.37 1 4 0 42 315.413 8

Activity (Go SEA)

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