UCSF

ZINC37093835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.65 2.44 -10.07 0 5 0 48 265.309 6
Mid Mid (pH 6-8) 1.65 4.74 -48.98 1 5 1 49 266.317 6

Activity (Go SEA)

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