UCSF

ZINC39291310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 No

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) 0.94 0.16 -7.29 2 6 0 96 185.135 2
Mid Mid (pH 6-8) 0.94 1.18 -36.84 1 6 -1 98 184.127 2

Activity (Go SEA)

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