UCSF

ZINC45658895

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) 2.40 3.4 -42 3 3 1 34 282.496 5
Hi High (pH 8-9.5) 2.40 5.76 -30.32 3 3 1 34 282.496 5
Mid Mid (pH 6-8) 2.40 7.85 -98.48 4 3 2 35 283.504 5
Mid Mid (pH 6-8) 2.40 5.14 -123.36 4 3 2 35 283.504 5
Mid Mid (pH 6-8) 2.40 4.74 -30.12 3 3 1 34 282.496 5
Lo Low (pH 4.5-6) 2.40 7.58 -223.1 5 3 3 37 284.512 5
Lo Low (pH 4.5-6) 2.40 5.67 -104.86 4 3 2 35 283.504 5

Activity (Go SEA)

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