UCSF

ZINC31898432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 35 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) 4.28 14.03 -57.4 2 7 1 78 489.621 7
Hi High (pH 8-9.5) 4.28 11.59 -21.56 1 7 0 76 488.613 7

Activity (Go SEA)

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