UCSF

ZINC70515518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 3.60 6.63 -36.13 3 3 1 40 279.448 10
Hi High (pH 8-9.5) 3.60 5.31 -3.99 2 3 0 35 278.44 10
Lo Low (pH 4.5-6) 3.60 6.71 -96.39 4 3 0 41 280.456 10

Activity (Go SEA)

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