UCSF

ZINC35084298

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) -0.27 8.26 -38.57 1 5 0 62 245.282 5
Hi High (pH 8-9.5) -0.27 6.02 -48.2 0 5 -1 61 244.274 5

Activity (Go SEA)

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