UCSF

ZINC22975503

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 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) 3.51 6.53 -22.99 2 8 0 110 446.554 8
Hi High (pH 8-9.5) 3.51 6.6 -46.96 1 8 -1 112 445.546 8
Hi High (pH 8-9.5) 3.58 5.62 -53.24 1 8 -1 117 445.546 8
Hi High (pH 8-9.5) 3.58 5.69 -99.18 0 8 -2 119 444.538 8

Activity (Go SEA)

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