UCSF

ZINC03318538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 30 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.36 14.81 -34.85 1 5 1 44 444.024 7
Hi High (pH 8-9.5) 5.36 12.58 -9.31 0 5 0 43 443.016 7

Activity (Go SEA)

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