UCSF

ZINC34993629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.24 5.49 -48.06 3 4 1 59 341.225 5
Hi High (pH 8-9.5) 3.24 6.4 -61.53 2 4 0 62 340.217 5

Activity (Go SEA)

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