UCSF

ZINC37111328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 2.29 5.32 -24.38 3 3 1 43 194.302 4
Mid Mid (pH 6-8) 2.29 5.34 -4.65 2 3 0 42 193.294 4

Activity (Go SEA)

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