UCSF

ZINC43427042

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.95 4.13 -2.74 0 2 0 12 203.713 3
Mid Mid (pH 6-8) 1.95 6.13 -35.59 1 2 1 14 204.721 3

Activity (Go SEA)

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