UCSF

ZINC39913870

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.01 13.71 -10.86 0 6 0 73 502.998 8
Lo Low (pH 4.5-6) 6.01 14.18 -40.9 1 6 1 74 504.006 8

Activity (Go SEA)

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