UCSF

ZINC22563585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 17 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) 0.02 4.15 -34.47 3 4 1 49 237.323 4
Mid Mid (pH 6-8) 0.02 4.48 -126.49 4 4 2 51 238.331 4
Mid Mid (pH 6-8) 0.02 2.31 -55.87 3 4 1 49 237.323 4

Activity (Go SEA)

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