UCSF

ZINC33832250

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) -1.99 5.56 -56.6 2 7 0 102 371.389 5
Hi High (pH 8-9.5) 2.18 5.3 -66.71 2 7 -1 102 370.381 4

Activity (Go SEA)

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