UCSF

ZINC12541148

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 30 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) 2.59 8.97 -10.78 0 8 0 74 411.506 4
Mid Mid (pH 6-8) 2.59 11.17 -56.86 1 8 1 76 412.514 4

Activity (Go SEA)

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