UCSF

ZINC37833344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.97 6.12 -8.4 0 4 0 33 302.846 6
Mid Mid (pH 6-8) 1.97 8.07 -45.54 1 4 1 34 303.854 6

Activity (Go SEA)

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