UCSF

ZINC12535987

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 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) 5.70 8.59 -55.56 1 6 -1 102 421.907 4
Hi High (pH 8-9.5) 4.77 8.08 -102.11 0 6 -2 101 420.899 5

Activity (Go SEA)

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