UCSF

ZINC38003528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.08 9.48 -96.59 3 2 2 21 345.35 3
Hi High (pH 8-9.5) 4.08 7.26 -36.15 2 2 1 20 344.342 3

Activity (Go SEA)

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