UCSF

ZINC02972403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 26 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) 4.80 -0.65 -16.05 1 4 0 54 363.417 3
Lo Low (pH 4.5-6) 4.80 -0.56 -37.48 2 4 1 56 364.425 3

Activity (Go SEA)

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