UCSF

ZINC11904270

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 26 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) 2.83 7.53 -15.28 1 6 0 72 365.414 3
Hi High (pH 8-9.5) 2.89 6.63 -45.65 0 6 -1 78 364.406 3

Activity (Go SEA)

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