UCSF

ZINC37013732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.27 3.87 -108.24 0 6 -2 101 312.734 5
Lo Low (pH 4.5-6) 1.27 3.84 -50.8 1 6 -1 99 313.742 5
Lo Low (pH 4.5-6) 1.27 4.37 -84.46 1 6 -1 103 313.742 5

Activity (Go SEA)

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