UCSF

ZINC00801465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 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) 4.81 12.1 -13.48 1 4 0 47 373.481 6
Lo Low (pH 4.5-6) 4.81 12.54 -39.33 2 4 1 48 374.489 6

Activity (Go SEA)

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