UCSF

ZINC19946345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 3.04 8.09 -109.46 3 2 2 21 224.392 3
Mid Mid (pH 6-8) 3.04 7.17 -31.19 2 2 1 16 223.384 3

Activity (Go SEA)

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