UCSF

ZINC42767424

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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 4.45 -91.07 5 5 2 78 238.335 6
Hi High (pH 8-9.5) 0.17 4.47 -31.83 4 5 1 76 237.327 6
Hi High (pH 8-9.5) 0.17 4.1 -34.48 4 5 1 77 237.327 6

Activity (Go SEA)

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