UCSF

ZINC00868716

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 14 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) 0.75 -1.24 -11.15 2 4 0 59 198.218 5
Mid Mid (pH 6-8) 4.52 7.36 -12.6 2 4 0 62 354.837 4

Activity (Go SEA)

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