UCSF

ZINC44685232

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.34 8.29 -36.02 2 2 1 16 283.798 4
Hi High (pH 8-9.5) 3.34 5.95 -2.82 1 2 0 15 282.79 4
Hi High (pH 8-9.5) 3.34 7 -47.34 2 2 1 20 283.798 4

Activity (Go SEA)

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