UCSF

ZINC20135605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 3.86 7.36 -7.14 1 3 0 30 298.217 3
Lo Low (pH 4.5-6) 3.86 7.46 -32.47 2 3 1 31 299.225 3

Activity (Go SEA)

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