UCSF

ZINC29214713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 26 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) 3.92 9.83 -45.91 1 4 1 42 391.944 3
Mid Mid (pH 6-8) 3.92 7.68 -8.11 0 4 0 41 390.936 3

Activity (Go SEA)

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