UCSF

ZINC43413721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.58 5.77 -58.87 3 5 0 86 268.357 7
Hi High (pH 8-9.5) 1.58 4.48 -49.94 2 5 -1 81 267.349 7
Lo Low (pH 4.5-6) 1.58 3.79 -43.62 4 5 1 83 269.365 7

Activity (Go SEA)

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