UCSF

ZINC49089114

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 31 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) 4.89 6.33 -16.48 3 6 0 100 416.429 5
Hi High (pH 8-9.5) 4.89 8.08 -137.15 1 6 -2 106 414.413 5
Mid Mid (pH 6-8) 4.89 7.33 -62.43 2 6 -1 103 415.421 5

Activity (Go SEA)

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