UCSF

ZINC20225424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 0.50 0.64 -46.8 4 3 1 51 209.313 5
Hi High (pH 8-9.5) 0.50 2.73 -28.4 4 3 1 51 209.313 5
Mid Mid (pH 6-8) 0.50 2.6 -120.69 5 3 2 52 210.321 5

Activity (Go SEA)

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