UCSF

ZINC31897729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 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) 3.37 12.85 -62.13 1 5 1 63 381.525 6
Hi High (pH 8-9.5) 3.37 10.68 -19.23 0 5 0 62 380.517 6

Activity (Go SEA)

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