UCSF

ZINC34626436

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 No

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) 3.17 3.87 -18.27 2 8 0 111 342.392 8
Hi High (pH 8-9.5) 3.35 1.34 -48.25 1 8 -1 117 341.384 8

Activity (Go SEA)

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