UCSF

ZINC34849796

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 3.46 7.84 -59.28 4 6 1 92 500.591 8
Hi High (pH 8-9.5) 3.46 6.49 -18.03 3 6 0 87 499.583 8

Activity (Go SEA)

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