UCSF

ZINC36617181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 4.84 9.42 -56.49 1 6 -1 95 475.262 5
Ref Reference (pH 7) 4.84 9.79 -59.22 1 6 -1 95 475.262 5
Hi High (pH 8-9.5) 4.84 10.57 -92.36 0 6 -2 98 474.254 5
Hi High (pH 8-9.5) 4.84 10.19 -88.91 0 6 -2 98 474.254 5

Activity (Go SEA)

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