UCSF

ZINC41732220

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 Yes

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) 1.40 7.39 -31.71 2 3 0 57 213.321 9
Hi High (pH 8-9.5) 1.40 6.08 -42.07 1 3 -1 52 212.313 9

Activity (Go SEA)

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