UCSF

ZINC37027740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.52 3.44 -45.46 3 5 1 64 303.791 4
Mid Mid (pH 6-8) 1.52 2.06 -8.19 2 5 0 60 302.783 4

Activity (Go SEA)

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