UCSF

ZINC36329690

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) 2.61 4.92 -15.15 2 8 0 122 345.307 6
Hi High (pH 8-9.5) 2.61 6.91 -95.69 0 8 -2 127 343.291 6

Activity (Go SEA)

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