UCSF

ZINC58193840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 33 No

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) 6.27 15.6 -18.49 2 5 0 63 474.655 7
Mid Mid (pH 6-8) 7.00 15.68 -58.81 1 5 -1 60 473.647 7

Activity (Go SEA)

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