UCSF

ZINC37858099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 30 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) 3.02 7.12 -10.67 0 6 0 65 400.434 4
Mid Mid (pH 6-8) 3.02 9.94 -44.95 1 6 1 66 401.442 4

Activity (Go SEA)

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