UCSF

ZINC42944577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.81 3.04 -41.92 3 2 1 31 213.732 3
Mid Mid (pH 6-8) 1.81 5.79 -121.04 4 2 2 32 214.74 3

Activity (Go SEA)

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