UCSF

ZINC45688922

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 Yes

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) 2.24 8.95 -51.07 2 5 1 61 290.387 9
Mid Mid (pH 6-8) 2.24 7.61 -11.33 1 5 0 56 289.379 9

Activity (Go SEA)

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