UCSF

ZINC44649124

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.12 1.25 -51.74 4 6 1 92 304.367 7
Hi High (pH 8-9.5) 1.12 0.09 -53.28 2 6 -1 89 302.351 7
Mid Mid (pH 6-8) 1.12 1.43 -73.93 3 6 0 94 303.359 7

Activity (Go SEA)

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