UCSF

ZINC36121754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 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) 2.28 2.66 -100 1 9 -2 142 447.391 6
Hi High (pH 8-9.5) 2.65 3.65 -88.32 1 9 -2 138 447.391 6
Mid Mid (pH 6-8) 2.28 1.84 -44.93 2 9 -1 139 448.399 6

Activity (Go SEA)

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