UCSF

ZINC37859209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) 2.30 3.66 -12.92 1 5 0 70 377.285 4
Mid Mid (pH 6-8) 2.76 1.21 -41.15 0 5 -1 73 376.277 4

Activity (Go SEA)

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