UCSF

ZINC24116250

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 32 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) 3.93 12.11 -73.94 1 6 0 74 434.536 9
Hi High (pH 8-9.5) 3.93 9.57 -58.95 0 6 -1 73 433.528 9

Activity (Go SEA)

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