UCSF

ZINC36542276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 30 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) 2.10 0.03 -22.17 3 9 0 123 432.502 6
Hi High (pH 8-9.5) 2.10 0.81 -66.17 2 9 -1 125 431.494 6

Activity (Go SEA)

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