UCSF

ZINC34699034

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 5.40 15.42 -41.05 1 4 1 38 449.59 8
Mid Mid (pH 6-8) 5.40 12.87 -10.38 0 4 0 37 448.582 8

Activity (Go SEA)

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