UCSF

ZINC30959569

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 22 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) 1.87 5.11 -40.69 3 6 1 72 306.386 8
Hi High (pH 8-9.5) 1.87 3.1 -14.82 2 6 0 71 305.378 8

Activity (Go SEA)

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