UCSF

ZINC37393571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.54 5.12 -42.06 2 3 1 29 332.237 6
Hi High (pH 8-9.5) 2.54 3.75 -3.61 1 3 0 24 331.229 6
Lo Low (pH 4.5-6) 2.54 7.39 -108.61 3 3 2 30 333.245 6

Activity (Go SEA)

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