UCSF

ZINC21247509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 37 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) 6.10 11.93 -13.41 3 8 0 116 499.567 6
Mid Mid (pH 6-8) 6.10 12.89 -59.38 2 8 -1 119 498.559 6

Activity (Go SEA)

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