UCSF

ZINC21033484

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.73 4.65 -53.58 4 4 1 74 305.423 5
Hi High (pH 8-9.5) 2.73 4.73 -55.79 3 4 0 76 304.415 5
Hi High (pH 8-9.5) 2.73 4.27 -11.15 3 4 0 72 304.415 5

Activity (Go SEA)

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