UCSF

ZINC36639758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 7.04 12.72 -17.58 1 4 0 55 508.224 4
Hi High (pH 8-9.5) 7.11 11.31 -48.97 0 4 -1 61 507.216 4

Activity (Go SEA)

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