UCSF

ZINC00259188

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 1.75 5.57 -13.37 1 3 0 42 212.252 3
Mid Mid (pH 6-8) 1.75 5.72 -36.45 2 3 1 43 213.26 3

Activity (Go SEA)

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