UCSF

ZINC09300389

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 25 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) 5.56 8.81 -39.66 1 4 -1 60 387.271 3
Ref Reference (pH 7) 6.05 9.3 -10.08 2 4 0 61 388.279 2
Hi High (pH 8-9.5) 6.51 7.02 -50.01 1 4 -1 64 387.271 2
Hi High (pH 8-9.5) 6.51 7.29 -45.96 1 4 -1 64 387.271 2

Activity (Go SEA)

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