UCSF

ZINC34991789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 1.39 8.58 -54.41 2 4 1 44 258.345 8
Hi High (pH 8-9.5) 1.39 7.22 -8.48 1 4 0 39 257.337 8
Mid Mid (pH 6-8) 1.39 9.09 -91.81 3 4 2 45 259.353 8

Activity (Go SEA)

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