UCSF

ZINC36136464

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) 0.45 4.45 -47.14 3 3 1 48 205.281 2
Hi High (pH 8-9.5) 0.45 4.05 -9.8 2 3 0 46 204.273 2

Activity (Go SEA)

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