UCSF

ZINC62967575

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 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) -1.11 2.15 -94.23 4 4 2 52 187.287 3
Hi High (pH 8-9.5) -1.11 -0.26 -49.25 3 4 1 51 186.279 3

Activity (Go SEA)

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