UCSF

ZINC21899858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 30 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) 2.96 6.14 -27.01 2 7 0 97 425.51 8
Hi High (pH 8-9.5) 2.96 6.21 -65.7 1 7 -1 99 424.502 8
Lo Low (pH 4.5-6) 2.96 6.51 -54.51 3 7 1 99 426.518 8

Activity (Go SEA)

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