UCSF

ZINC41198269

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 6.29 8.13 -37.06 2 2 1 29 331.408 6
Mid Mid (pH 6-8) 6.29 7.28 -4.91 1 2 0 25 330.4 6

Activity (Go SEA)

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