UCSF

ZINC37812715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.47 3.33 -100.03 4 4 2 52 213.325 2
Mid Mid (pH 6-8) -0.47 1.07 -49.69 3 4 1 51 212.317 2

Activity (Go SEA)

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