UCSF

ZINC45658524

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 1.23 -42.03 3 3 1 34 242.431 6
Hi High (pH 8-9.5) 1.59 4.08 -32.18 3 3 1 34 242.431 6
Mid Mid (pH 6-8) 1.59 5.08 -92.35 4 3 2 35 243.439 6
Mid Mid (pH 6-8) 1.59 4.05 -103.37 4 3 2 35 243.439 6
Mid Mid (pH 6-8) 1.59 2.3 -28.51 3 3 1 34 242.431 6
Lo Low (pH 4.5-6) 1.59 5.43 -212.62 5 3 3 37 244.447 6

Activity (Go SEA)

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