UCSF

ZINC31911567

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 0.55 5.55 -51.21 3 3 1 45 204.297 2
Hi High (pH 8-9.5) 0.55 5.22 -8.9 2 3 0 43 203.289 2
Mid Mid (pH 6-8) 0.55 6 -103.56 4 3 2 46 205.305 2
Mid Mid (pH 6-8) 0.55 5.72 -24.79 3 3 1 45 204.297 2

Activity (Go SEA)

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