UCSF

ZINC37238538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 39 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) 5.16 12.39 -46.39 2 6 1 69 534.717 4
Mid Mid (pH 6-8) 5.16 10.55 -11.53 1 6 0 68 533.709 4

Activity (Go SEA)

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