UCSF

ZINC32116603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.19 8.16 -49.11 1 7 -1 111 481.076 4
Mid Mid (pH 6-8) 5.19 7.53 -14.66 2 7 0 108 482.084 4

Activity (Go SEA)

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