UCSF

ZINC37044138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.12 1.29 -51.07 5 6 1 95 266.321 6
Hi High (pH 8-9.5) 1.12 0.97 -14.22 4 6 0 93 265.313 6

Activity (Go SEA)

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