UCSF

ZINC13940997

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 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) 4.03 6.11 -39.67 1 5 -1 74 357.386 5
Ref Reference (pH 7) 4.52 6.64 -10.04 2 5 0 75 358.394 4
Hi High (pH 8-9.5) 4.98 5.13 -39.38 1 5 -1 78 357.386 4
Hi High (pH 8-9.5) 4.98 4.44 -40.61 1 5 -1 78 357.386 4

Activity (Go SEA)

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