UCSF

ZINC34537961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 1.92 8.46 -89.54 3 7 0 113 385.416 11
Hi High (pH 8-9.5) 1.92 8.08 -55.99 2 7 -1 111 384.408 11

Activity (Go SEA)

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