UCSF

ZINC36318852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.74 6.29 -12.74 1 4 0 47 347.212 3
Lo Low (pH 4.5-6) 3.74 6.8 -25.65 2 4 1 48 348.22 3

Activity (Go SEA)

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