UCSF

ZINC37260090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 3.37 8.02 -42.82 1 4 -1 65 267.736 4
Lo Low (pH 4.5-6) 3.37 8.38 -37.59 2 4 0 66 268.744 4

Activity (Go SEA)

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