UCSF

ZINC35448932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 35 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) 1.70 10.25 -64.05 1 10 1 92 484.577 7
Mid Mid (pH 6-8) 1.70 7.9 -31.01 0 10 0 91 483.569 7

Activity (Go SEA)

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