UCSF

ZINC42778081

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.25 5.97 -60.24 1 6 0 72 281.356 7
Mid Mid (pH 6-8) 1.25 5.83 -59.44 0 6 -1 70 280.348 7

Activity (Go SEA)

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