UCSF

ZINC04057220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 35 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) 1.10 6.78 -24.18 1 9 0 99 477.517 7
Lo Low (pH 4.5-6) 1.11 7.24 -57.91 2 9 1 100 478.525 7

Activity (Go SEA)

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