UCSF

ZINC09831791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 18 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) 2.65 4.39 -53.96 4 3 1 61 243.33 0
Hi High (pH 8-9.5) 2.65 4.13 -9.66 3 3 0 59 242.322 0

Activity (Go SEA)

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