UCSF

ZINC35101814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 13 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) 0.12 -0.26 -39.83 4 4 1 66 187.263 5
Hi High (pH 8-9.5) 0.12 -1.69 -10.02 3 4 0 61 186.255 5

Activity (Go SEA)

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