UCSF

ZINC37102639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 3.98 7.63 -35.66 2 3 1 43 242.383 6
Hi High (pH 8-9.5) 3.98 6.64 -5.34 1 3 0 38 241.375 6

Activity (Go SEA)

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