UCSF

ZINC05138837

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 9 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) -1.18 -3.93 -48.97 4 4 1 68 131.155 0
Hi High (pH 8-9.5) -1.18 -3.45 -67.71 3 4 0 71 130.147 0

Activity (Go SEA)

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