UCSF

ZINC01052654

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 35 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) 3.96 10.74 -63.87 0 8 -1 105 489.529 6
Mid Mid (pH 6-8) 3.37 0.31 -19.08 0 8 0 99 490.537 6

Activity (Go SEA)

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