UCSF

ZINC39355705

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 33 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) 4.72 13.03 -98.3 2 5 2 56 466.025 3
Hi High (pH 8-9.5) 4.72 10.98 -30.42 1 5 1 55 465.017 3

Activity (Go SEA)

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