UCSF

ZINC41530644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.02 4.37 -39.96 2 5 1 54 326.486 7
Hi High (pH 8-9.5) 2.02 2.09 -9.37 1 5 0 53 325.478 7
Mid Mid (pH 6-8) 2.02 4.37 -44.97 2 5 1 54 326.486 7

Activity (Go SEA)

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