UCSF

ZINC36876455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.18 7.35 -43.85 3 3 1 45 256.373 2
Lo Low (pH 4.5-6) 2.18 7.75 -99.18 4 3 2 47 257.381 2

Activity (Go SEA)

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