UCSF

ZINC20598803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 0.87 1.97 -48.45 2 8 1 75 414.53 8
Mid Mid (pH 6-8) 0.87 2.03 -47.78 2 8 1 75 414.53 8
Mid Mid (pH 6-8) 0.87 -0.35 -10.01 1 8 0 74 413.522 8
Lo Low (pH 4.5-6) 0.87 4.26 -93.26 3 8 2 76 415.538 8
Lo Low (pH 4.5-6) 0.87 4.31 -96 3 8 2 76 415.538 8

Activity (Go SEA)

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