UCSF

ZINC29081364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 32 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) 2.85 9.2 -52.14 3 8 1 92 445.584 7
Hi High (pH 8-9.5) 2.85 6.96 -18.32 2 8 0 91 444.576 7

Activity (Go SEA)

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