UCSF

ZINC42741642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 2.04 5.5 -113.75 4 2 2 32 200.37 5
Mid Mid (pH 6-8) 2.04 4.22 -41.91 3 2 1 31 199.362 5
Mid Mid (pH 6-8) 2.04 5.26 -26.16 3 2 1 30 199.362 5

Activity (Go SEA)

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