UCSF

ZINC21012002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 4.30 10.45 -97.9 3 2 2 21 317.304 6
Hi High (pH 8-9.5) 4.30 6.77 -2.54 1 2 0 15 315.288 6
Mid Mid (pH 6-8) 4.30 9.03 -31.23 2 2 1 16 316.296 6
Mid Mid (pH 6-8) 4.30 8.2 -34.69 2 2 1 20 316.296 6

Activity (Go SEA)

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