UCSF

ZINC00428243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.50 3.68 -38.97 0 4 -1 61 301.269 4
Lo Low (pH 4.5-6) 2.50 3.65 -9.66 1 4 0 59 302.277 4
Lo Low (pH 4.5-6) 2.50 4.14 -43.19 1 4 0 62 302.277 4

Activity (Go SEA)

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