UCSF

ZINC48838067

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 19 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) 0.74 5.6 -59.24 3 5 0 86 266.341 7
Lo Low (pH 4.5-6) 0.74 3.84 -50.75 4 5 1 83 267.349 7

Activity (Go SEA)

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