UCSF

ZINC35151180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 13 Yes

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) 1.55 2.52 -3.15 1 2 0 21 197.2 4
Mid Mid (pH 6-8) 1.55 3.87 -40.97 2 2 1 26 198.208 4

Activity (Go SEA)

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