UCSF

ZINC20220522

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 2.17 7.03 -38.32 1 4 1 34 283.779 5
Mid Mid (pH 6-8) 2.17 7.2 -43.32 1 4 1 34 283.779 5
Mid Mid (pH 6-8) 2.17 4.82 -6.01 0 4 0 33 282.771 5

Activity (Go SEA)

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