UCSF

ZINC41650404

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 6.06 10.35 -46.94 2 1 1 17 430.126 4
Hi High (pH 8-9.5) 6.06 9.25 -2.58 1 1 0 12 429.118 4

Activity (Go SEA)

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