UCSF

ZINC52270159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 2.41 3.85 -33.81 3 2 1 37 178.255 3
Hi High (pH 8-9.5) 2.41 4.61 -30.63 2 2 0 40 177.247 3

Activity (Go SEA)

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