UCSF

ZINC09361145

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 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) 3.08 8.23 -18.52 1 7 0 83 379.482 9
Hi High (pH 8-9.5) 3.14 7.31 -45.82 0 7 -1 89 378.474 9

Activity (Go SEA)

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