UCSF

ZINC35526984

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 3.05 5.28 -19.84 2 8 0 107 453.52 8
Mid Mid (pH 6-8) 3.05 5.36 -62.6 1 8 -1 109 452.512 8

Activity (Go SEA)

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