UCSF

ZINC31921745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.62 8.73 -16.24 0 5 0 60 307.353 4
Lo Low (pH 4.5-6) 3.62 9.14 -32.08 1 5 1 61 308.361 4

Activity (Go SEA)

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