UCSF

ZINC13126253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 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) 2.26 4.62 -14.24 1 5 0 72 255.277 3
Mid Mid (pH 6-8) 2.44 5.34 -29.24 3 5 1 76 256.285 1
Lo Low (pH 4.5-6) 2.70 6.13 -97.13 3 5 2 74 257.293 2

Activity (Go SEA)

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