UCSF

ZINC45650544

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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
Hi High (pH 8-9.5) 2.53 6.44 -30.86 2 3 1 20 276.448 6
Hi High (pH 8-9.5) 2.53 4.51 -1.76 1 3 0 19 275.44 6
Mid Mid (pH 6-8) 2.53 8.02 -112.2 3 3 2 24 277.456 6
Mid Mid (pH 6-8) 2.53 8.76 -85.23 3 3 2 21 277.456 6

Activity (Go SEA)

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