UCSF

ZINC22314370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 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) 4.06 8.78 -14.3 1 6 0 85 385.423 4
Hi High (pH 8-9.5) 4.13 7.95 -44.46 0 6 -1 91 384.415 4

Activity (Go SEA)

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