UCSF

ZINC37241731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 3.03 6.37 -31.44 2 2 1 16 211.373 4
Hi High (pH 8-9.5) 3.03 4.04 -0.59 1 2 0 15 210.365 4
Lo Low (pH 4.5-6) 3.03 5.23 -36.56 2 2 1 20 211.373 4
Lo Low (pH 4.5-6) 3.03 7.58 -108.17 3 2 2 21 212.381 4

Activity (Go SEA)

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