UCSF

ZINC36639728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 5.13 12.36 -21.13 1 7 0 101 419.462 5
Hi High (pH 8-9.5) 5.20 10.95 -56.95 0 7 -1 107 418.454 5

Activity (Go SEA)

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