UCSF

ZINC33812701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 4.62 17.23 -76.65 1 7 1 75 516.757 10
Mid Mid (pH 6-8) 4.62 12.87 -17.29 0 7 0 74 515.749 10

Activity (Go SEA)

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