UCSF

ZINC20484816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.28 9.4 -134.26 4 2 2 32 284.875 9
Hi High (pH 8-9.5) 4.28 7.43 -47.4 3 2 1 31 283.867 9
Hi High (pH 8-9.5) 4.28 9.08 -36.88 3 2 1 30 283.867 9

Activity (Go SEA)

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