UCSF

ZINC37326191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.16 4.8 -42.68 0 7 -1 106 299.328 3
Mid Mid (pH 6-8) 2.16 3.81 -12.8 1 7 0 103 300.336 3

Activity (Go SEA)

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