UCSF

ZINC19687969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 14 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) -0.72 0.51 -51.67 3 4 1 51 198.29 4
Mid Mid (pH 6-8) -0.72 2.82 -101.47 4 4 2 52 199.298 4

Activity (Go SEA)

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