UCSF

ZINC12531137

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 36 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) 4.01 10.64 -17.07 4 9 0 134 485.592 3
Mid Mid (pH 6-8) 4.01 10.79 -48.66 5 9 1 136 486.6 3

Activity (Go SEA)

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