UCSF

ZINC02863340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 32 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) 4.64 -3.93 -18.27 3 7 0 99 462.556 5
Lo Low (pH 4.5-6) 5.57 -3.82 -45.19 4 7 1 104 463.564 4

Activity (Go SEA)

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