UCSF

ZINC36127710

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 14 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) -0.34 2.48 -100.02 5 4 2 61 201.314 7
Hi High (pH 8-9.5) -0.34 0.22 -47.42 4 4 1 60 200.306 7

Activity (Go SEA)

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