UCSF

ZINC34571974

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 2.83 7.01 -58.07 1 5 -1 91 295.27 4
Hi High (pH 8-9.5) 2.83 7.79 -105.79 0 5 -2 93 294.262 4

Activity (Go SEA)

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