UCSF

ZINC34850258

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 32 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) 4.35 7.23 -61.99 4 6 1 92 479.066 8
Hi High (pH 8-9.5) 4.35 5.88 -14.04 3 6 0 87 478.058 8

Activity (Go SEA)

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