UCSF

ZINC44513464

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 0.00 7.64 -106.7 4 5 2 62 247.346 3
Hi High (pH 8-9.5) 0.00 5.38 -54.9 3 5 1 61 246.338 3

Activity (Go SEA)

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