UCSF

ZINC00408303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 No

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) 0.25 4 -12.17 2 4 0 63 224.647 1
Ref Reference (pH 7) 2.30 -0.18 -5.45 4 4 0 71 224.647 1
Hi High (pH 8-9.5) 2.30 0.58 -43.67 3 4 -1 74 223.639 1

Activity (Go SEA)

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