UCSF

ZINC35500707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 2.52 4.82 -56.92 3 5 1 72 285.323 4
Hi High (pH 8-9.5) 2.98 1.2 -48.7 1 5 -1 70 283.307 4
Mid Mid (pH 6-8) 2.98 2.2 -76.44 2 5 0 75 284.315 4

Activity (Go SEA)

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