UCSF

ZINC31911678

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) 0.87 5.74 -51.6 3 3 1 45 204.297 3
Hi High (pH 8-9.5) 0.87 5.45 -7.73 2 3 0 43 203.289 3
Mid Mid (pH 6-8) 0.87 6.2 -105.46 4 3 2 46 205.305 3
Mid Mid (pH 6-8) 0.87 5.96 -24.99 3 3 1 45 204.297 3

Activity (Go SEA)

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