UCSF

ZINC36750417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.29 5.91 -60.58 1 6 -1 87 275.284 5
Mid Mid (pH 6-8) 2.29 6.35 -36.61 2 6 0 89 276.292 5

Activity (Go SEA)

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