UCSF

ZINC22831124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 33 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) 4.89 11.57 -15.74 2 8 0 100 461.547 8
Hi High (pH 8-9.5) 4.89 11.4 -51.5 1 8 -1 99 460.539 8

Activity (Go SEA)

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