UCSF

ZINC36198333

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) -0.22 4.32 -45.22 4 6 1 80 293.391 7
Hi High (pH 8-9.5) -0.22 2.27 -15.52 3 6 0 79 292.383 7

Activity (Go SEA)

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