UCSF

ZINC34999167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 2.46 4.72 -41.8 4 8 1 102 475.606 7
Hi High (pH 8-9.5) 2.46 2.88 -6.64 3 8 0 100 474.598 7
Mid Mid (pH 6-8) 2.46 4.77 -83.38 5 8 2 106 476.614 7

Activity (Go SEA)

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