UCSF

ZINC30742674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 31 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) 3.46 7.94 -59.71 2 8 1 93 510.434 7
Mid Mid (pH 6-8) 3.46 5.72 -20.96 1 8 0 91 509.426 7

Activity (Go SEA)

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