UCSF

ZINC08553467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 23 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) 1.51 -0.13 -13.38 4 7 0 107 310.313 4
Lo Low (pH 4.5-6) 1.51 0.82 -74.96 6 7 2 110 312.329 4
Lo Low (pH 4.5-6) 1.51 0.34 -34.81 5 7 1 108 311.321 4

Activity (Go SEA)

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