UCSF

ZINC36102817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 Yes

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) 2.65 8.79 -39.85 2 4 1 43 340.443 10
Hi High (pH 8-9.5) 2.65 6.09 -9.66 1 4 0 42 339.435 10

Activity (Go SEA)

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