UCSF

ZINC12017581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 29 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) 4.23 10.59 -8.61 0 6 0 59 394.471 6
Ref Reference (pH 7) 4.23 10.73 -10.36 0 6 0 59 394.471 6

Activity (Go SEA)

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