UCSF

ZINC44880669

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 1.14 5.12 -55.14 2 4 1 46 253.297 3
Hi High (pH 8-9.5) 1.14 3.76 -9.07 1 4 0 42 252.289 3

Activity (Go SEA)

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