UCSF

ZINC73029182

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2012 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) 2.26 4.09 -15.67 2 6 0 74 281.319 3
Hi High (pH 8-9.5) 2.26 4.16 -12.5 2 6 0 74 281.319 3
Hi High (pH 8-9.5) 2.26 4.16 -44.72 1 6 -1 72 280.311 3
Mid Mid (pH 6-8) 2.26 4.19 -12.82 2 6 0 74 281.319 3

Activity (Go SEA)

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