UCSF

ZINC30884482

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 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) 4.80 6.38 -43.02 1 6 -1 87 471.383 7
Mid Mid (pH 6-8) 4.80 6.36 -19.3 2 6 0 85 472.391 7

Activity (Go SEA)

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