UCSF

ZINC36916869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 0.08 5.28 -44.64 3 4 1 58 243.334 2
Hi High (pH 8-9.5) 0.08 4.93 -11.36 2 4 0 57 242.326 2

Activity (Go SEA)

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