UCSF

ZINC34975118

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) -0.38 1.6 -67.83 3 3 1 62 226.321 0
Mid Mid (pH 6-8) -0.38 1.38 -12.86 2 3 0 60 225.313 0

Activity (Go SEA)

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