UCSF

ZINC40997109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 20 Yes

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) 4.44 9.18 -40.81 2 2 1 29 283.42 4
Hi High (pH 8-9.5) 4.44 7.97 -5.64 1 2 0 25 282.412 4

Activity (Go SEA)

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