UCSF

ZINC21704389

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 3.18 8.38 -31.61 1 8 0 88 455.515 7
Hi High (pH 8-9.5) 3.00 7.44 -48.35 0 8 -1 94 454.507 7
Lo Low (pH 4.5-6) 3.18 10.73 -65.54 2 8 1 89 456.523 7

Activity (Go SEA)

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