UCSF

ZINC53440124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 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) 2.36 8.43 -114.06 3 3 2 24 279.472 10
Hi High (pH 8-9.5) 2.36 6.95 -35.13 2 3 1 20 278.464 10
Mid Mid (pH 6-8) 2.36 9.11 -86.3 3 3 2 21 279.472 10

Activity (Go SEA)

Rings

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