UCSF

ZINC51951647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 26 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) 3.19 7.61 -48.51 5 5 1 82 350.442 7
Hi High (pH 8-9.5) 3.19 7.48 -60.44 3 5 -1 80 348.426 7
Mid Mid (pH 6-8) 3.19 6.26 -16.52 4 5 0 77 349.434 7

Activity (Go SEA)

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