UCSF

ZINC43239754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.62 3.97 -43.45 3 2 1 31 225.381 4
Hi High (pH 8-9.5) 1.62 5.93 -28.48 3 2 1 30 225.381 4
Hi High (pH 8-9.5) 1.62 4.12 -1.81 2 2 0 29 224.373 4
Lo Low (pH 4.5-6) 1.62 6.21 -107.69 4 2 2 32 226.389 4

Activity (Go SEA)

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