UCSF

ZINC44812272

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 15 Yes

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) 2.42 4.5 -9.45 1 4 0 66 223.301 3
Hi High (pH 8-9.5) 2.61 3.12 -38.08 0 4 -1 72 222.293 3

Activity (Go SEA)

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