UCSF

ZINC46412528

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2010 16 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) 2.31 7.55 -44.74 2 3 1 34 221.324 5
Hi High (pH 8-9.5) 2.31 4.7 -6.99 1 3 0 32 220.316 5

Activity (Go SEA)

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