UCSF

ZINC00190442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 24 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) 2.72 5.82 -18.35 2 8 0 120 324.296 3
Ref Reference (pH 7) 2.72 5.99 -11.92 2 8 0 120 324.296 3
Hi High (pH 8-9.5) 3.17 4.23 -42.54 1 8 -1 123 323.288 3
Hi High (pH 8-9.5) 3.17 3.93 -54.91 1 8 -1 123 323.288 3

Activity (Go SEA)

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