UCSF

ZINC44165950

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 29 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) 3.62 9.67 -11.73 1 6 0 78 386.455 4
Lo Low (pH 4.5-6) 3.62 10.08 -42.89 2 6 1 79 387.463 4

Activity (Go SEA)

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