UCSF

ZINC34958633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) -0.51 0.05 -49.98 3 6 1 75 242.328 3
Hi High (pH 8-9.5) -0.33 -1.39 -60.54 2 6 0 81 241.32 3

Activity (Go SEA)

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