UCSF

ZINC34345449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 35 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) 0.73 -4.76 -21.41 7 12 0 207 490.417 5
Hi High (pH 8-9.5) 0.73 -3.78 -66.11 6 12 -1 210 489.409 5

Activity (Go SEA)

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