UCSF

ZINC01000003

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 33 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) 5.27 8.31 -10.17 3 6 0 86 473.476 6
Lo Low (pH 4.5-6) 5.27 8.52 -35.4 4 6 1 88 474.484 6

Activity (Go SEA)

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