UCSF

ZINC26001164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 34 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) -1.10 0.16 -57.19 9 13 1 194 468.498 9
Lo Low (pH 4.5-6) -2.06 -0.22 -163.15 11 13 2 197 469.506 8

Activity (Go SEA)

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