UCSF

ZINC19359553

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 29 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) 6.08 12.26 -37.79 2 3 1 28 395.611 6
Mid Mid (pH 6-8) 6.08 12.32 -37.65 2 3 1 28 395.611 6
Mid Mid (pH 6-8) 6.08 9.94 -4.39 1 3 0 27 394.603 6

Activity (Go SEA)

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