UCSF

ZINC31093451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 24 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) 4.42 8.92 -14.18 1 4 0 51 320.392 5
Lo Low (pH 4.5-6) 4.42 9.21 -43.48 2 4 1 52 321.4 5

Activity (Go SEA)

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