UCSF

ZINC34852799

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) 3.15 13.16 -44.28 1 6 1 54 450.603 6
Hi High (pH 8-9.5) 3.15 10.96 -11.44 0 6 0 53 449.595 6

Activity (Go SEA)

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