UCSF

ZINC02782788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 2.89 6.24 -12.17 1 4 0 39 293.317 3
Lo Low (pH 4.5-6) 2.89 6.34 -28.12 2 4 1 40 294.325 3

Activity (Go SEA)

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