UCSF

ZINC21128246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 34 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) 4.13 13.1 -11.31 0 7 0 63 479.65 9
Mid Mid (pH 6-8) 4.13 15.36 -47.89 1 7 1 65 480.658 9

Activity (Go SEA)

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