UCSF

ZINC47916011

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 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) 0.55 5.01 -37.21 2 5 1 54 242.343 7
Hi High (pH 8-9.5) 0.55 2.79 -13.82 1 5 0 53 241.335 7

Activity (Go SEA)

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