UCSF

ZINC33959208

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 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) 5.05 9.42 -23.15 2 10 0 125 494.5 11
Hi High (pH 8-9.5) 5.05 10.43 -66.78 1 10 -1 128 493.492 11

Activity (Go SEA)

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