UCSF

ZINC37716361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 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) -1.31 -0.65 -17.53 2 7 0 91 308.363 3
Mid Mid (pH 6-8) -1.31 0.65 -60.28 3 7 1 95 309.371 3

Activity (Go SEA)

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