UCSF

ZINC58066263

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2011 27 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) 3.48 10.81 -38.56 2 5 1 56 364.469 8
Hi High (pH 8-9.5) 3.48 8.37 -17.37 1 5 0 54 363.461 8
Lo Low (pH 4.5-6) 3.48 11.18 -75.89 3 5 2 57 365.477 8

Activity (Go SEA)

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