UCSF

ZINC49825668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 18 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) 3.21 9.75 -45.76 1 3 1 31 254.325 8
Hi High (pH 8-9.5) 3.21 7.52 -7.29 0 3 0 30 253.317 8

Activity (Go SEA)

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