UCSF

ZINC37084149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.44 6.63 -132.03 4 4 2 51 312.841 4
Mid Mid (pH 6-8) 2.44 4.79 -52.39 3 4 1 49 311.833 4

Activity (Go SEA)

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