UCSF

ZINC37080555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) 0.26 3.69 -101.98 4 2 2 32 144.262 4
Hi High (pH 8-9.5) 0.26 1.63 -39.29 3 2 1 31 143.254 4
Hi High (pH 8-9.5) 0.26 3.32 -30.2 3 2 1 30 143.254 4

Activity (Go SEA)

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