UCSF

ZINC58167869

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 23 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) 1.26 7.53 -45.01 2 7 1 72 310.385 5
Lo Low (pH 4.5-6) 1.26 8 -111.09 3 7 2 74 311.393 5

Activity (Go SEA)

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