UCSF

ZINC37095307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.59 7.95 -4.9 0 3 0 21 229.755 5
Mid Mid (pH 6-8) 2.59 8.08 -25.74 1 3 1 22 230.763 5

Activity (Go SEA)

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