UCSF

ZINC01059745

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 32 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) 4.52 13.38 -18.68 1 7 0 82 465.604 8
Hi High (pH 8-9.5) 4.70 12.14 -49.97 0 7 -1 88 464.596 8

Activity (Go SEA)

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