UCSF

ZINC49737638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.69 6.95 -45.09 2 4 1 37 304.458 6
Hi High (pH 8-9.5) 2.69 4.67 -7.15 1 4 0 36 303.45 6
Mid Mid (pH 6-8) 2.69 6.69 -42.76 2 4 1 37 304.458 6

Activity (Go SEA)

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