UCSF

ZINC22919947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 4.02 11.36 -44.47 1 4 1 26 383.556 9
Hi High (pH 8-9.5) 4.02 11.35 -47.61 1 4 1 26 383.556 9
Hi High (pH 8-9.5) 4.02 9.02 -7.12 0 4 0 25 382.548 9

Activity (Go SEA)

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