UCSF

ZINC42989768

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 5.36 6.73 -43.2 4 3 1 57 308.486 12
Hi High (pH 8-9.5) 5.36 6.49 -3.91 3 3 0 55 307.478 12

Activity (Go SEA)

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