UCSF

ZINC60316588

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 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) 2.56 7.9 -34.64 1 2 1 8 211.716 1
Mid Mid (pH 6-8) 2.56 5.56 -2.67 0 2 0 6 210.708 1

Activity (Go SEA)

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