UCSF

ZINC20306021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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
Ref Reference (pH 7) 4.34 6.63 -39.37 3 2 1 29 241.443 6
Hi High (pH 8-9.5) 4.34 6.43 -30.72 3 2 1 29 241.443 6
Mid Mid (pH 6-8) 4.34 7.66 -100.63 4 2 2 33 242.451 6

Activity (Go SEA)

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