UCSF

ZINC19470614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 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) -0.32 1.52 -87.88 4 3 2 35 173.304 4
Hi High (pH 8-9.5) -0.32 -1 -45.85 3 3 1 34 172.296 4
Mid Mid (pH 6-8) -0.32 1.42 -101.48 4 3 2 35 173.304 4
Lo Low (pH 4.5-6) -0.32 3.9 -183.4 5 3 3 37 174.312 4

Activity (Go SEA)

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