UCSF

ZINC43240672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.24 7.42 -126.46 4 2 2 32 302.487 4
Hi High (pH 8-9.5) 3.24 6.07 -1.34 2 2 0 29 300.471 4
Mid Mid (pH 6-8) 3.24 5.49 -43.09 3 2 1 31 301.479 4

Activity (Go SEA)

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