UCSF

ZINC09324702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 29 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) 5.58 8.59 -11.08 2 5 0 67 386.451 6
Hi High (pH 8-9.5) 5.58 9.39 -47.05 1 5 -1 70 385.443 6

Activity (Go SEA)

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