UCSF

ZINC13652406

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 24 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) 2.68 11.14 -15.38 0 7 0 79 334.42 9
Mid Mid (pH 6-8) 2.68 11.62 -52.42 1 7 1 80 335.428 9

Activity (Go SEA)

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