UCSF

ZINC18101898

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 16 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) 4.49 4.74 -7.32 1 3 0 45 212.252 2
Ref Reference (pH 7) 3.10 6.67 -10.07 1 3 0 41 212.252 2
Ref Reference (pH 7) 3.10 6.68 -10.12 1 3 0 41 212.252 2
Hi High (pH 8-9.5) 4.49 4.27 -38.26 0 3 -1 48 211.244 2
Hi High (pH 8-9.5) 4.49 5.52 -41.59 0 3 -1 48 211.244 2

Activity (Go SEA)

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