UCSF

ZINC20591796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 No

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) 2.04 7.55 -9.92 1 7 0 73 485.382 5
Ref Reference (pH 7) 2.04 7.55 -10.6 1 7 0 73 485.382 5
Mid Mid (pH 6-8) 2.04 9.78 -45.25 2 7 1 74 486.39 5
Lo Low (pH 4.5-6) 2.04 9.78 -43.11 2 7 1 74 486.39 5

Activity (Go SEA)

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