UCSF

ZINC08845671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 27 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) 2.39 4.92 -14.8 2 7 0 88 365.389 4
Mid Mid (pH 6-8) 2.39 5.69 -54.98 1 7 -1 91 364.381 4

Activity (Go SEA)

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