UCSF

ZINC36996696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.33 7.61 -30.58 2 3 1 26 340.285 4
Mid Mid (pH 6-8) 3.33 6.64 -35.68 2 3 1 29 340.285 4
Lo Low (pH 4.5-6) 3.33 8.9 -108.14 3 3 2 30 341.293 4

Activity (Go SEA)

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