UCSF

ZINC37076461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.63 5.76 -7.67 1 4 0 51 276.361 7
Mid Mid (pH 6-8) 1.63 6.97 -32.31 2 4 1 56 277.369 7

Activity (Go SEA)

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