UCSF

ZINC37269793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.28 4.99 -43.2 3 5 1 60 266.365 7
Hi High (pH 8-9.5) 0.28 2.72 -12.07 2 5 0 59 265.357 7

Activity (Go SEA)

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