UCSF

ZINC05999871

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 21 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) 1.73 3.73 -33.15 2 6 0 86 295.327 1
Lo Low (pH 4.5-6) 1.73 4.13 -52.99 3 6 1 87 296.335 1

Activity (Go SEA)

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