UCSF

ZINC37818299

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -1.11 0.07 -49.41 4 7 1 95 267.309 3
Hi High (pH 8-9.5) -0.92 -2.57 -68.08 3 7 0 101 266.301 3
Hi High (pH 8-9.5) -1.11 -1.22 -13.62 3 7 0 91 266.301 3

Activity (Go SEA)

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