UCSF

ZINC06493796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 22 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) 3.98 8.14 -9.96 1 4 0 55 312.394 5
Lo Low (pH 4.5-6) 3.98 8.52 -34.37 2 4 1 56 313.402 5

Activity (Go SEA)

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