UCSF

ZINC25073236

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 27 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) 4.19 11.19 -14.24 1 4 0 47 355.441 5
Mid Mid (pH 6-8) 4.19 11.58 -36.84 2 4 1 48 356.449 5

Activity (Go SEA)

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