UCSF

ZINC37843545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.94 4.49 -43.55 0 4 -1 61 318.205 5
Mid Mid (pH 6-8) 2.94 4.45 -11.12 1 4 0 59 319.213 5

Activity (Go SEA)

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