UCSF

ZINC31945529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 1.51 5.61 -49.74 3 4 1 49 283.417 9
Hi High (pH 8-9.5) 1.51 3.19 -15.09 2 4 0 48 282.409 9

Activity (Go SEA)

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