UCSF

ZINC16681441

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 21 No

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) 1.69 4.84 -44.93 1 5 -1 74 298.347 2
Lo Low (pH 4.5-6) 1.23 6.8 -9.41 2 5 0 71 299.355 2

Activity (Go SEA)

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