UCSF

ZINC44424373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 20 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) 2.63 4.89 -41.83 2 4 1 44 355.199 10
Hi High (pH 8-9.5) 2.63 3.5 -6.62 1 4 0 40 354.191 10

Activity (Go SEA)

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