UCSF

ZINC33697733

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 3.96 11.24 -44.83 0 6 -1 77 429.496 6
Lo Low (pH 4.5-6) 3.96 10.11 -18.23 1 6 0 74 430.504 6

Activity (Go SEA)

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