UCSF

ZINC37240703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 4.04 7.3 -31.14 2 2 1 16 239.427 4
Hi High (pH 8-9.5) 4.04 4.86 -0.61 1 2 0 15 238.419 4
Lo Low (pH 4.5-6) 4.04 8.52 -111.58 3 2 2 21 240.435 4
Lo Low (pH 4.5-6) 4.04 6.09 -35.89 2 2 1 20 239.427 4

Activity (Go SEA)

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