UCSF

ZINC43897739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.88 7.72 -38.99 2 3 1 29 291.459 5
Hi High (pH 8-9.5) 3.88 6.04 -2.55 1 3 0 24 290.451 5
Lo Low (pH 4.5-6) 3.88 9.29 -124.2 3 3 2 30 292.467 5

Activity (Go SEA)

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