UCSF

ZINC21501319

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) -0.36 3.57 -99.76 5 5 2 78 313.467 6
Hi High (pH 8-9.5) -0.36 1.28 -59.47 4 5 1 77 312.459 6
Hi High (pH 8-9.5) -0.36 3.24 -40.26 4 5 1 77 312.459 6

Activity (Go SEA)

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