UCSF

ZINC13069458

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 23 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) 2.93 7.86 -35.6 3 6 1 72 324.445 6
Hi High (pH 8-9.5) 2.93 5.75 -7.07 2 6 0 71 323.437 6

Activity (Go SEA)

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