UCSF

ZINC23129990

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 35 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) 3.19 11.27 -47.33 2 8 1 81 498.051 6
Hi High (pH 8-9.5) 3.19 8.85 -14.81 1 8 0 79 497.043 6

Activity (Go SEA)

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