UCSF

ZINC36755088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 3.90 6.87 -8.14 1 3 0 46 246.285 2
Hi High (pH 8-9.5) 4.36 5.2 -46.68 0 3 -1 49 245.277 2

Activity (Go SEA)

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