UCSF

ZINC21808438

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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 10.55 -106.62 3 2 2 21 317.304 6
Hi High (pH 8-9.5) 4.30 6.83 -4.24 1 2 0 15 315.288 6
Hi High (pH 8-9.5) 4.30 9.09 -33.98 2 2 1 16 316.296 6
Mid Mid (pH 6-8) 4.30 8.29 -42.4 2 2 1 20 316.296 6

Activity (Go SEA)

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