UCSF

ZINC21822042

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 2.70 7.6 -75.95 2 8 1 89 429.522 6
Mid Mid (pH 6-8) 2.70 6.15 -16.7 1 8 0 88 428.514 6
Mid Mid (pH 6-8) 3.16 7.39 -42.97 1 8 0 92 428.514 6
Mid Mid (pH 6-8) 2.70 9.59 -60.47 2 8 1 89 429.522 6

Activity (Go SEA)

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