UCSF

ZINC37824994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.40 4.53 -106.91 4 5 2 65 266.389 7
Mid Mid (pH 6-8) -0.40 4.45 -49.26 3 5 1 64 265.381 7

Activity (Go SEA)

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