UCSF

ZINC37050223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.73 3.98 -47.59 4 3 1 51 283.395 4
Mid Mid (pH 6-8) 1.73 6.3 -93.61 5 3 2 52 284.403 4

Activity (Go SEA)

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