UCSF

ZINC45658522

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.59 2.1 -39.72 3 3 1 34 242.431 6
Hi High (pH 8-9.5) 1.59 3.99 -30.3 3 3 1 34 242.431 6
Mid Mid (pH 6-8) 1.59 5.21 -90.54 4 3 2 35 243.439 6
Mid Mid (pH 6-8) 1.59 2.73 -30.62 3 3 1 34 242.431 6
Mid Mid (pH 6-8) 1.59 4.35 -104.3 4 3 2 35 243.439 6
Lo Low (pH 4.5-6) 1.59 5.57 -214.46 5 3 3 37 244.447 6

Activity (Go SEA)

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