UCSF

ZINC42871847

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.00 0.25 -52.28 3 7 1 83 333.478 4
Hi High (pH 8-9.5) 0.00 -2.11 -15.25 2 7 0 82 332.47 4

Activity (Go SEA)

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