UCSF

ZINC12364971

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 33 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) 7.50 2.09 -12.39 1 4 0 39 445.582 8
Mid Mid (pH 6-8) 7.50 2.27 -28.5 2 4 1 40 446.59 8

Activity (Go SEA)

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