UCSF

ZINC21760462

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 2.16 8.16 -17.55 0 7 0 76 420.56 5
Lo Low (pH 4.5-6) 2.16 8.61 -51.53 1 7 1 77 421.568 5

Activity (Go SEA)

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