UCSF

ZINC37116468

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) -0.14 1.77 -59.46 3 5 1 75 266.346 2
Hi High (pH 8-9.5) -0.14 0.77 -51.28 2 5 0 77 265.338 2

Activity (Go SEA)

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