UCSF

ZINC36636086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 No

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) 1.54 7.8 -15.12 2 8 0 116 416.437 3
Lo Low (pH 4.5-6) 1.54 8.24 -62.23 3 8 1 118 417.445 3

Activity (Go SEA)

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