UCSF

ZINC71574520

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 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) 1.56 3.52 -41.75 4 4 1 69 254.111 2
Mid Mid (pH 6-8) 1.56 3.12 -40.92 3 4 0 68 253.103 2

Activity (Go SEA)

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