UCSF

ZINC28870755

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 30 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) 4.18 7.65 -51.72 1 6 -1 90 436.9 5
Mid Mid (pH 6-8) 4.18 7.62 -14.69 2 6 0 88 437.908 5

Activity (Go SEA)

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