UCSF

ZINC19706625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 29 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) 3.15 9.88 -99.48 3 5 2 37 398.595 5
Hi High (pH 8-9.5) 3.15 5.33 -7.55 1 5 0 35 396.579 5
Mid Mid (pH 6-8) 3.15 7.58 -48.3 2 5 1 36 397.587 5

Activity (Go SEA)

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