UCSF

ZINC31898488

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.21 9.86 -48.57 3 3 1 46 334.439 7
Hi High (pH 8-9.5) 3.21 9.53 -5.92 2 3 0 44 333.431 7

Activity (Go SEA)

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