UCSF

ZINC34595512

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 1.22 6.98 -29.18 3 12 0 163 497.555 11
Hi High (pH 8-9.5) 1.40 5.49 -66.74 2 12 -1 169 496.547 11

Activity (Go SEA)

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