UCSF

ZINC34581285

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 3.03 9.21 -50.54 0 4 -1 60 327.198 7
Lo Low (pH 4.5-6) 3.03 7.24 -12.3 1 4 0 58 328.206 7

Activity (Go SEA)

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