UCSF

ZINC36925048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.91 9.45 -52.19 0 5 -1 69 278.357 5
Lo Low (pH 4.5-6) 1.91 7.47 -13.41 1 5 0 66 279.365 5

Activity (Go SEA)

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