UCSF

ZINC37123574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 4.24 11.01 -6.7 1 3 0 30 269.392 4
Mid Mid (pH 6-8) 4.24 11.52 -32.1 2 3 1 31 270.4 4

Activity (Go SEA)

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