UCSF

ZINC36487157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 33 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) 4.00 6.58 -10.31 3 8 0 103 510.447 8
Mid Mid (pH 6-8) 4.00 8.85 -44.17 4 8 1 104 511.455 8

Activity (Go SEA)

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