UCSF

ZINC00700540

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 38 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) 5.09 11.49 -13.34 1 6 0 64 529.706 12
Mid Mid (pH 6-8) 5.09 13.5 -55.29 2 6 1 65 530.714 12

Activity (Go SEA)

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