UCSF

ZINC06661011

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 28 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) 2.38 0.29 -12.19 0 7 0 85 391.408 3
Lo Low (pH 4.5-6) 2.38 0.4 -36.31 1 7 1 86 392.416 3

Activity (Go SEA)

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