UCSF

ZINC09163489

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 33 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) 0.72 6.73 -27.27 4 12 0 174 495.539 9
Hi High (pH 8-9.5) 0.72 8 -77.3 3 12 -1 176 494.531 9

Activity (Go SEA)

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