UCSF

ZINC34699100

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 5.79 15.15 -40.58 1 4 1 34 457.638 8
Mid Mid (pH 6-8) 5.79 12.62 -11.64 0 4 0 33 456.63 8

Activity (Go SEA)

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