UCSF

ZINC39983364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 30 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) 2.49 6.85 -14.76 1 8 0 82 416.522 7
Mid Mid (pH 6-8) 2.49 8.84 -47.95 2 8 1 83 417.53 7

Activity (Go SEA)

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