UCSF

ZINC34852846

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 5.40 12.09 -20.69 1 6 0 75 510.969 9
Hi High (pH 8-9.5) 5.58 10.61 -49.35 0 6 -1 82 509.961 9

Activity (Go SEA)

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