UCSF

ZINC53155427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.38 7.04 -57.87 2 2 1 29 251.712 4
Mid Mid (pH 6-8) 2.38 5.68 -7.15 1 2 0 25 250.704 4

Activity (Go SEA)

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