UCSF

ZINC44853101

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.05 9.26 -31.8 2 3 1 34 341.878 5
Hi High (pH 8-9.5) 4.05 7.03 -7.94 1 3 0 32 340.87 5

Activity (Go SEA)

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