UCSF

ZINC20519666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 3.18 7.74 -62.95 0 4 -1 62 290.726 6
Lo Low (pH 4.5-6) 3.18 8.18 -78.1 1 4 0 63 291.734 6

Activity (Go SEA)

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