UCSF

ZINC05649027

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 25 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) 4.88 6.96 -13.3 1 4 0 60 374.673 3
Mid Mid (pH 6-8) 4.88 7.74 -39.14 0 4 -1 63 373.665 3

Activity (Go SEA)

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