UCSF

ZINC36146305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 3.18 7.25 -38.4 2 4 1 46 311.833 6
Hi High (pH 8-9.5) 3.18 5.49 -8.18 1 4 0 45 310.825 6

Activity (Go SEA)

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