UCSF

ZINC37517781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) -0.73 0.77 -55.91 1 6 -1 84 241.267 4
Lo Low (pH 4.5-6) -0.73 3.02 -56.14 2 6 0 85 242.275 4
Lo Low (pH 4.5-6) -0.73 -0.64 -15.75 2 6 0 81 242.275 4

Activity (Go SEA)

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