UCSF

ZINC37049505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.98 6.31 -112.57 4 3 2 35 277.456 7
Hi High (pH 8-9.5) 1.98 4.09 -2.32 2 3 0 32 275.44 7
Hi High (pH 8-9.5) 1.98 4.48 -42.42 3 3 1 34 276.448 7
Mid Mid (pH 6-8) 1.98 6.74 -96.78 4 3 2 35 277.456 7

Activity (Go SEA)

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