UCSF

ZINC44687166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.69 7.87 -38.16 2 3 1 26 328.263 3
Hi High (pH 8-9.5) 2.69 5.53 -3.44 1 3 0 24 327.255 3

Activity (Go SEA)

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