UCSF

ZINC41197902

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 4.39 9.21 -35.2 2 2 1 29 352.321 4
Mid Mid (pH 6-8) 4.39 8.23 -5.09 1 2 0 25 351.313 4

Activity (Go SEA)

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