UCSF

ZINC35721750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 1.18 5.31 -58.02 1 5 -1 78 256.322 7
Lo Low (pH 4.5-6) 1.18 3.33 -13.78 2 5 0 76 257.33 7

Activity (Go SEA)

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