UCSF

ZINC19517697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.17 3.96 -159.44 6 6 3 86 285.375 3
Hi High (pH 8-9.5) 0.17 3.72 -39.7 4 6 1 83 283.359 3
Mid Mid (pH 6-8) 0.17 3.67 -102.13 5 6 2 85 284.367 3

Activity (Go SEA)

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