UCSF

ZINC08574854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2006 27 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) 1.88 1.31 -14.61 4 7 0 110 365.389 5
Hi High (pH 8-9.5) 1.86 1.15 -62.66 2 7 -1 109 364.381 5
Hi High (pH 8-9.5) 1.86 1.12 -55.07 2 7 -1 109 364.381 5
Hi High (pH 8-9.5) 1.88 2.11 -50.62 3 7 -1 113 364.381 5
Mid Mid (pH 6-8) 1.88 2.09 -55.5 3 7 -1 113 364.381 5

Activity (Go SEA)

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