UCSF

ZINC39399905

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 27 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) 1.60 2.29 -38.6 3 6 1 61 378.537 7
Mid Mid (pH 6-8) 1.60 1.92 -36.08 3 6 1 61 378.537 7
Lo Low (pH 4.5-6) 1.60 4.6 -87.93 4 6 2 62 379.545 7
Lo Low (pH 4.5-6) 1.60 4.32 -100.81 4 6 2 62 379.545 7

Activity (Go SEA)

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