UCSF

ZINC42824697

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.53 3.84 -13.01 3 4 0 60 251.355 4
Lo Low (pH 4.5-6) 1.53 4.2 -43.74 4 4 1 61 252.363 4

Activity (Go SEA)

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