UCSF

ZINC42467375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 Yes

Other Names:

MFCD14665710

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) 0.50 2.44 -43.05 3 2 1 31 197.327 5
Lo Low (pH 4.5-6) 0.50 4.77 -117.27 4 2 2 32 198.335 5

Activity (Go SEA)

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