UCSF

ZINC00702703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 25 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) 2.83 7.18 -60.73 0 5 -1 74 370.431 5
Lo Low (pH 4.5-6) 2.83 6.43 -15.43 1 5 0 71 371.439 5

Activity (Go SEA)

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