UCSF

ZINC08724927

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 34 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) 3.33 2.57 -15.7 0 9 0 94 464.432 4
Mid Mid (pH 6-8) 3.33 2.88 -46.05 1 9 1 95 465.44 4

Activity (Go SEA)

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