UCSF

ZINC16043854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2008 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) 1.65 4.77 -20.7 2 10 0 135 367.387 8
Hi High (pH 8-9.5) 2.11 3.99 -52.59 1 10 -1 138 366.379 8

Activity (Go SEA)

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