UCSF

ZINC08372286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2006 26 No

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) 4.19 8.25 -48.71 0 5 -1 71 384.458 5
Lo Low (pH 4.5-6) 3.73 10.08 -16.55 1 5 0 68 385.466 5

Activity (Go SEA)

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