UCSF

ZINC08739704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 36 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) 5.06 15.42 -25.3 1 8 0 91 479.54 7
Hi High (pH 8-9.5) 5.06 16.36 -18.53 2 8 0 93 479.54 7

Activity (Go SEA)

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