UCSF

ZINC28246802

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) -4.03 -8.94 -52.19 7 7 1 129 221.233 2
Mid Mid (pH 6-8) -4.03 -9.32 -12.42 6 7 0 127 220.225 2

Activity (Go SEA)

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