UCSF

ZINC44677934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.70 9.69 -43.77 0 4 -1 44 293.375 3
Mid Mid (pH 6-8) 1.97 9.58 -8.62 1 4 0 47 294.383 3

Activity (Go SEA)

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