UCSF

ZINC36626369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 2.37 4.14 -18.11 1 9 0 117 449.51 8
Mid Mid (pH 6-8) 2.44 2.48 -44.72 0 9 -1 123 448.502 8

Activity (Go SEA)

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