UCSF

ZINC37052850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.52 0.81 -53.63 2 6 -1 111 279.326 3
Mid Mid (pH 6-8) 1.44 1.36 -18.55 3 6 0 112 280.334 2

Activity (Go SEA)

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