UCSF

ZINC42900520

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.09 5.1 -51.86 3 3 1 54 226.321 6
Hi High (pH 8-9.5) 1.09 5.44 -7.93 2 3 0 52 225.313 6

Activity (Go SEA)

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