UCSF

ZINC34397711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2009 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) -0.08 5.41 -61.17 4 7 1 107 314.369 6
Hi High (pH 8-9.5) -0.08 5.03 -12.27 3 7 0 106 313.361 6

Activity (Go SEA)

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