UCSF

ZINC44257895

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 1.52 3.1 -44.48 2 5 1 63 337.263 6
Hi High (pH 8-9.5) 1.52 2.94 -40.22 1 5 0 66 336.255 6

Activity (Go SEA)

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