UCSF

ZINC30876629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 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) 3.85 4.97 -11.1 0 6 0 62 479.425 6
Lo Low (pH 4.5-6) 3.85 7.17 -49.93 1 6 1 64 480.433 6

Activity (Go SEA)

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