UCSF

ZINC37094515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.02 4.35 -88.72 4 4 2 52 217.357 8
Hi High (pH 8-9.5) 0.02 2.33 -45.9 3 4 1 51 216.349 8

Activity (Go SEA)

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