UCSF

ZINC42978113

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 1.70 7.51 -43.71 2 5 1 54 292.403 7
Hi High (pH 8-9.5) 1.70 5.49 -15.11 1 5 0 53 291.395 7

Activity (Go SEA)

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