UCSF

ZINC37978929

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 1.53 6.55 -38.61 2 5 1 56 281.376 6
Mid Mid (pH 6-8) 1.53 5.51 -46.17 2 5 1 59 281.376 6
Lo Low (pH 4.5-6) 1.53 7.75 -113.33 3 5 2 60 282.384 6

Activity (Go SEA)

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