UCSF

ZINC37079009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 0.93 5.07 -93.78 3 2 2 21 158.289 3
Hi High (pH 8-9.5) 0.93 3.71 -32.5 2 2 1 16 157.281 3
Hi High (pH 8-9.5) 0.93 2.99 -36.98 2 2 1 20 157.281 3

Activity (Go SEA)

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