UCSF

ZINC20226028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 2.53 7.09 -131.51 4 2 2 32 242.794 5
Mid Mid (pH 6-8) 2.53 5.05 -47.63 3 2 1 31 241.786 5

Activity (Go SEA)

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