UCSF

ZINC20146213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 21 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) 2.29 5.58 -39.14 3 4 1 46 293.431 7
Hi High (pH 8-9.5) 2.29 4.85 -47.01 3 4 1 49 293.431 7
Hi High (pH 8-9.5) 2.29 5.64 -70.59 2 4 0 52 292.423 7

Activity (Go SEA)

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