UCSF

ZINC37339863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 No

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) 1.19 3.56 -29.38 0 7 -1 89 266.277 4
Mid Mid (pH 6-8) 1.19 4.01 -15.52 1 7 0 91 267.285 4
Lo Low (pH 4.5-6) 1.19 5.44 -33.68 1 7 0 91 267.285 4

Activity (Go SEA)

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