UCSF

ZINC08216781

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 24 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) 2.93 8.07 -17.57 1 5 0 59 340.452 5
Mid Mid (pH 6-8) 2.93 8.49 -34.6 2 5 1 61 341.46 5

Activity (Go SEA)

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