UCSF

ZINC33775551

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 28 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) 4.37 10.99 -10.24 1 5 0 62 395.528 3
Lo Low (pH 4.5-6) 0.70 11.19 -34.66 2 5 1 61 396.536 4

Activity (Go SEA)

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