UCSF

ZINC35019923

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.95 4.18 -11.03 0 5 0 48 277.32 3
Lo Low (pH 4.5-6) 1.95 6.05 -48.28 1 5 1 49 278.328 3

Activity (Go SEA)

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