UCSF

ZINC44511522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 0.29 2.13 -56.87 4 5 1 83 309.411 5
Hi High (pH 8-9.5) 0.29 1.73 -11.44 3 5 0 81 308.403 5

Activity (Go SEA)

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