UCSF

ZINC09708680

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 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) 3.66 -8.81 -23.44 1 8 0 102 492.6 5
Hi High (pH 8-9.5) 3.66 -8.24 -62.48 0 8 -1 104 491.592 5

Activity (Go SEA)

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