UCSF

ZINC01481223

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 35 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) 3.97 11.79 -59.17 0 8 -1 109 495.508 8
Mid Mid (pH 6-8) 3.39 1 -18.68 0 8 0 102 496.516 8

Activity (Go SEA)

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