UCSF

ZINC44725058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 29 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) 4.68 13.21 -33.9 1 4 1 38 382.487 2
Hi High (pH 8-9.5) 4.68 12.9 -15.62 0 4 0 36 381.479 2

Activity (Go SEA)

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