UCSF

ZINC35123423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 1.95 9.21 -57.82 0 4 -1 60 250.318 7
Lo Low (pH 4.5-6) 1.95 6.72 -13.4 1 4 0 58 251.326 7

Activity (Go SEA)

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