UCSF

ZINC36127936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) -0.18 1.1 -50.58 4 4 1 68 235.307 2
Hi High (pH 8-9.5) -0.18 0.7 -8.86 3 4 0 67 234.299 2

Activity (Go SEA)

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