UCSF

ZINC22145278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 1.03 2.18 -4.81 2 3 0 38 206.289 2
Mid Mid (pH 6-8) 1.03 4.53 -34.8 3 3 1 40 207.297 2

Activity (Go SEA)

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