UCSF

ZINC41679973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) -1.47 -1.8 -52.52 5 7 1 112 232.26 8
Hi High (pH 8-9.5) -1.47 -2.21 -14.77 4 7 0 111 231.252 8

Activity (Go SEA)

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