UCSF

ZINC35225789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 37 Yes

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) 5.50 10.97 -17.67 2 6 0 67 497.639 10
Mid Mid (pH 6-8) 5.50 13.24 -51.93 3 6 1 68 498.647 10

Activity (Go SEA)

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