UCSF

ZINC16730559

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 28 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) 5.98 12.73 -9.04 0 2 0 37 406.379 5
Lo Low (pH 4.5-6) 5.98 12.9 -47.28 1 2 1 38 407.387 5

Activity (Go SEA)

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