UCSF

ZINC19370785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 34 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) 6.90 17.73 -40.03 1 2 1 8 463.67 4
Mid Mid (pH 6-8) 6.90 15.92 -4.96 0 2 0 6 462.662 4
Mid Mid (pH 6-8) 6.90 17.48 -40.88 1 2 1 8 463.67 4

Activity (Go SEA)

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