UCSF

ZINC37173475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 1.10 6.7 -15.61 0 3 0 37 185.267 5
Hi High (pH 8-9.5) 1.12 5.73 -49.56 0 3 -1 43 184.259 5

Activity (Go SEA)

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