UCSF

ZINC30954485

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 19 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) 0.14 5.23 -47.06 2 5 1 54 268.381 4
Hi High (pH 8-9.5) 0.14 2.94 -17.73 1 5 0 53 267.373 4

Activity (Go SEA)

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