UCSF

ZINC37338427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 12 No

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) 0.60 2.38 -6.62 0 3 0 30 171.24 3
Mid Mid (pH 6-8) 0.60 4.6 -37.28 1 3 1 31 172.248 3

Activity (Go SEA)

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