UCSF

ZINC29135318

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 27 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) 3.11 8.1 -18.28 2 6 0 78 376.338 4
Hi High (pH 8-9.5) 3.57 7.05 -50.42 1 6 -1 81 375.33 4

Activity (Go SEA)

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