UCSF

ZINC36874134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

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) 2.13 5.49 -38.51 3 4 1 55 258.345 3
Hi High (pH 8-9.5) 2.13 4.36 -7.78 2 4 0 50 257.337 3
Hi High (pH 8-9.5) 2.13 4.52 -27.34 3 4 1 51 258.345 3
Mid Mid (pH 6-8) 2.13 5.86 -106.78 4 4 2 56 259.353 3

Activity (Go SEA)

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