UCSF

ZINC44472312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 16 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) 1.11 4.59 -39.6 2 4 1 38 225.36 7
Hi High (pH 8-9.5) 1.11 2.95 -4.79 1 4 0 33 224.352 7
Lo Low (pH 4.5-6) 1.11 6.46 -119.67 3 4 2 39 226.368 7

Activity (Go SEA)

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