UCSF

ZINC46618771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 27 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) 3.64 10.05 -34.73 2 5 1 60 366.416 4
Mid Mid (pH 6-8) 3.64 9.72 -11.12 1 5 0 58 365.408 4

Activity (Go SEA)

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