UCSF

ZINC05714901

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 17 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) 3.03 4.1 -7.81 1 4 0 49 256.371 5
Hi High (pH 8-9.5) 3.03 4.18 -43.65 0 4 -1 51 255.363 5

Activity (Go SEA)

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