UCSF

ZINC62321343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 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) -0.64 2.21 -50.33 4 7 1 86 252.327 3
Hi High (pH 8-9.5) -0.64 -0.03 -14.58 3 7 0 85 251.319 3
Hi High (pH 8-9.5) -0.64 0.44 -36.7 4 7 1 86 252.327 3
Lo Low (pH 4.5-6) -0.64 2.04 -127.31 5 7 2 88 253.335 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.