UCSF

ZINC53116693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.56 3.97 -48.11 2 5 -1 89 256.322 7
Lo Low (pH 4.5-6) 1.56 2 -9.48 3 5 0 87 257.33 7

Activity (Go SEA)

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