UCSF

ZINC37049524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.57 4.9 -91.85 4 3 2 35 241.423 5
Hi High (pH 8-9.5) 1.57 2.72 -41.85 3 3 1 34 240.415 5

Activity (Go SEA)

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