UCSF

ZINC44724119

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 11 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) -0.88 3.04 -33.11 2 4 0 66 161.201 6
Hi High (pH 8-9.5) -0.88 1.85 -45.47 1 4 -1 61 160.193 6

Activity (Go SEA)

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