UCSF

ZINC29670539

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 21 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) 0.14 -1.41 -11.59 2 7 0 74 300.403 8
Hi High (pH 8-9.5) 0.14 0.84 -42.86 3 7 1 75 301.411 8
Lo Low (pH 4.5-6) 0.14 3.1 -115.63 4 7 2 76 302.419 8

Activity (Go SEA)

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