UCSF

ZINC06136732

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 19 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) 2.07 6.03 -11.95 1 4 0 51 321.174 5
Lo Low (pH 4.5-6) 2.07 6.31 -45.46 2 4 1 52 322.182 5
Lo Low (pH 4.5-6) 2.26 2.61 -36.51 2 4 1 56 322.182 5

Activity (Go SEA)

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