UCSF

ZINC30742545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 30 No

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) 2.72 7.04 -61.34 2 8 1 93 431.538 7
Mid Mid (pH 6-8) 2.72 4.71 -21.91 1 8 0 91 430.53 7

Activity (Go SEA)

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