UCSF

ZINC24074608

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 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) 2.98 4.67 -22.31 2 7 0 94 444.431 8
Hi High (pH 8-9.5) 2.98 4.41 -55.3 1 7 -1 96 443.423 8

Activity (Go SEA)

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