UCSF

ZINC34660781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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) 3.09 5.66 -38.18 2 2 1 26 254.659 5
Hi High (pH 8-9.5) 3.09 4.2 -4.89 1 2 0 21 253.651 5

Activity (Go SEA)

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