UCSF

ZINC26499472

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 35 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) 5.68 12.42 -18.7 2 4 0 61 465.593 9
Mid Mid (pH 6-8) 5.68 13.19 -63.25 1 4 -1 64 464.585 9

Activity (Go SEA)

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