UCSF

ZINC18113664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 20 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) 1.10 2.83 -13.01 2 6 0 87 266.26 2
Hi High (pH 8-9.5) 1.55 0.78 -57.01 1 6 -1 90 265.252 2
Hi High (pH 8-9.5) 1.55 1.09 -48.36 1 6 -1 90 265.252 2

Activity (Go SEA)

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