UCSF

ZINC37101767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.58 3.96 -45.98 3 5 1 63 316.422 5
Mid Mid (pH 6-8) 2.58 4.16 -68.92 2 5 0 65 315.414 5

Activity (Go SEA)

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