UCSF

ZINC36929309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.11 6.87 -13.01 1 3 0 46 242.303 1
Hi High (pH 8-9.5) 3.57 4.76 -47.72 0 3 -1 49 241.295 1

Activity (Go SEA)

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