UCSF

ZINC20200914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 3.87 9.39 -32.15 2 2 1 16 332.331 6
Mid Mid (pH 6-8) 3.87 9.73 -120.19 3 2 2 21 333.339 6
Mid Mid (pH 6-8) 3.87 7.53 -39.74 2 2 1 20 332.331 6

Activity (Go SEA)

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