UCSF

ZINC38003561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 1.88 5.26 -38.72 3 4 1 46 304.336 8
Hi High (pH 8-9.5) 2.06 3.6 -60.78 2 4 0 52 303.328 8
Mid Mid (pH 6-8) 1.88 4.14 -49.95 3 4 1 49 304.336 8

Activity (Go SEA)

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