UCSF

ZINC37219345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 4.60 10.79 -42.55 2 1 1 17 304.866 3
Mid Mid (pH 6-8) 4.60 10.2 -3.04 1 1 0 12 303.858 3

Activity (Go SEA)

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