UCSF

ZINC22959435

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 1.84 0.01 -22.3 3 8 0 125 465.347 7
Hi High (pH 8-9.5) 1.84 0.76 -93.56 1 8 -2 124 463.331 7
Hi High (pH 8-9.5) 1.84 0.69 -47.55 2 8 -1 122 464.339 7
Mid Mid (pH 6-8) 1.84 0.08 -53.24 2 8 -1 127 464.339 7

Activity (Go SEA)

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