UCSF

ZINC60707282

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 5.11 9.81 -41.02 2 1 1 17 345.351 7
Hi High (pH 8-9.5) 5.11 8.54 -3.36 1 1 0 12 344.343 7

Activity (Go SEA)

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