UCSF

ZINC19428327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 2.81 6.85 -44.19 2 3 1 34 318.21 6
Hi High (pH 8-9.5) 2.81 4.53 -10.57 1 3 0 32 317.202 6

Activity (Go SEA)

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