UCSF

ZINC09871797

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 26 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) 2.47 4.28 -30.6 3 7 0 103 415.247 5
Hi High (pH 8-9.5) 2.93 2.38 -69.53 2 7 -1 107 414.239 5

Activity (Go SEA)

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