UCSF

ZINC37997567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.89 8.15 -111.28 3 3 2 34 249.402 6
Hi High (pH 8-9.5) 1.89 6.21 -46.05 2 3 1 33 248.394 6
Hi High (pH 8-9.5) 1.89 6.96 -36.08 2 3 1 29 248.394 6

Activity (Go SEA)

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