UCSF

ZINC13476965

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 23 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) 3.98 5.65 -10.85 2 5 0 75 326.377 3
Ref Reference (pH 7) 3.49 5.09 -42.21 1 5 -1 74 325.369 4
Hi High (pH 8-9.5) 3.98 6.53 -51.22 1 5 -1 78 325.369 3
Hi High (pH 8-9.5) 3.49 6.09 -121.38 0 5 -2 76 324.361 4

Activity (Go SEA)

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