UCSF

ZINC43970066

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 1.51 4.09 -33.68 2 3 1 29 215.361 8
Hi High (pH 8-9.5) 1.51 2.92 -1.9 1 3 0 24 214.353 8
Mid Mid (pH 6-8) 1.51 4.42 -27.44 2 3 1 26 215.361 8

Activity (Go SEA)

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