UCSF

ZINC13652410

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 1.35 6.42 -12.38 1 7 0 82 294.355 6
Mid Mid (pH 6-8) 1.35 6.9 -48.29 2 7 1 83 295.363 6

Activity (Go SEA)

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