UCSF

ZINC43907779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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
Ref Reference (pH 7) 1.55 4.98 -116.05 3 4 2 34 283.46 3
Hi High (pH 8-9.5) 1.55 3.98 -33.73 2 4 1 29 282.452 3
Mid Mid (pH 6-8) 1.55 3.69 -33.96 2 4 1 29 282.452 3
Lo Low (pH 4.5-6) 1.55 5.89 -102.9 3 4 2 30 283.46 3
Lo Low (pH 4.5-6) 1.55 5.18 -88.57 3 4 2 34 283.46 3

Activity (Go SEA)

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