UCSF

ZINC37985058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 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) 3.38 8.8 -56.32 2 4 1 62 237.323 7
Mid Mid (pH 6-8) 3.38 7.44 -5.74 1 4 0 58 236.315 7

Activity (Go SEA)

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