UCSF

ZINC43638769

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 1.27 5.88 -30.97 1 4 1 40 204.29 8
Mid Mid (pH 6-8) 1.27 3.8 -6.09 0 4 0 39 203.282 8

Activity (Go SEA)

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