UCSF

ZINC53118783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.58 4.02 -39.17 3 4 1 55 272.8 4
Mid Mid (pH 6-8) 1.58 2.81 -5.61 2 4 0 50 271.792 4

Activity (Go SEA)

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