UCSF

ZINC37094973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.40 8.59 -129.5 4 2 2 32 266.473 6
Hi High (pH 8-9.5) 3.40 8.29 -35.04 3 2 1 30 265.465 6
Hi High (pH 8-9.5) 3.40 6.87 -40.8 3 2 1 31 265.465 6

Activity (Go SEA)

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