UCSF

ZINC45301456

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 20 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) 3.09 8.9 -7 0 4 0 32 309.2 2
Lo Low (pH 4.5-6) 3.09 9.36 -33.75 1 4 1 34 310.208 2

Activity (Go SEA)

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