UCSF

ZINC58179015

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 18 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) 2.52 7.06 -37.95 2 2 1 16 255.332 4
Mid Mid (pH 6-8) 2.52 6.01 -41.37 2 2 1 20 255.332 4
Lo Low (pH 4.5-6) 2.52 8.25 -108.68 3 2 2 21 256.34 4

Activity (Go SEA)

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