UCSF

ZINC35017330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.54 11.28 -42.43 1 11 -1 155 496.543 13
Mid Mid (pH 6-8) 3.29 12.39 -21.06 2 11 0 149 497.551 14

Activity (Go SEA)

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