UCSF

ZINC09344386

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 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) 0.67 4.52 -12.55 2 7 0 91 417.263 5
Ref Reference (pH 7) 0.67 4.53 -12.23 2 7 0 91 417.263 5
Lo Low (pH 4.5-6) 0.67 4.81 -41.9 3 7 1 93 418.271 5

Activity (Go SEA)

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