UCSF

ZINC42369729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 21 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) 2.44 9 -58.72 0 6 -1 70 290.343 7
Mid Mid (pH 6-8) 2.44 8.25 -42.76 1 6 0 71 291.351 7
Lo Low (pH 4.5-6) 2.44 8.53 -35.8 1 6 0 71 291.351 7

Activity (Go SEA)

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