UCSF

ZINC19359528

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) 4.46 12.89 -45.86 1 4 1 26 403.546 7
Mid Mid (pH 6-8) 4.46 10.51 -6.95 0 4 0 25 402.538 7
Mid Mid (pH 6-8) 4.46 12.15 -39.14 1 4 1 26 403.546 7

Activity (Go SEA)

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