UCSF

ZINC42913582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.67 6 -121.14 4 2 2 32 212.312 4
Mid Mid (pH 6-8) 1.67 3.36 -45.34 3 2 1 31 211.304 4
Mid Mid (pH 6-8) 1.67 5.64 -36.78 3 2 1 30 211.304 4

Activity (Go SEA)

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