UCSF

ZINC21799978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 2.81 7.44 -20.85 1 5 0 50 334.423 3
Mid Mid (pH 6-8) 2.81 9.66 -55.44 2 5 1 51 335.431 3
Mid Mid (pH 6-8) 2.81 7.85 -31.31 2 5 1 51 335.431 3
Lo Low (pH 4.5-6) 2.81 10.07 -105.88 3 5 2 53 336.439 3

Activity (Go SEA)

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