UCSF

ZINC46575502

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2010 26 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) 2.84 7.92 -50.24 3 5 1 63 372.876 6
Mid Mid (pH 6-8) 2.84 5.65 -10.67 2 5 0 61 371.868 6

Activity (Go SEA)

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