UCSF

ZINC34670435

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 2.99 7.12 -10.63 0 4 0 31 331.387 6
Lo Low (pH 4.5-6) 2.99 9.41 -42.14 1 4 1 32 332.395 6

Activity (Go SEA)

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