UCSF

ZINC22931871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 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) 3.66 13.01 -35.45 1 4 1 24 393.599 8
Hi High (pH 8-9.5) 3.66 11.88 -1.63 0 4 0 23 392.591 8
Lo Low (pH 4.5-6) 3.66 12.97 -95 2 4 2 25 394.607 8

Activity (Go SEA)

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