UCSF

ZINC37839330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.94 9.69 -51.41 1 4 1 42 281.401 4
Mid Mid (pH 6-8) 0.94 7.8 -19.09 0 4 0 41 280.393 4

Activity (Go SEA)

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