UCSF

ZINC19370861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 6.43 15.12 -45.04 1 2 1 8 456.462 3
Mid Mid (pH 6-8) 6.43 12.74 -3.43 0 2 0 6 455.454 3
Mid Mid (pH 6-8) 6.43 14.3 -43.51 1 2 1 8 456.462 3

Activity (Go SEA)

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