UCSF

ZINC32116558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 24 Yes

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) 5.47 8.86 -48.53 1 4 -1 61 456.154 5
Mid Mid (pH 6-8) 5.47 8.24 -14.57 2 4 0 59 457.162 5

Activity (Go SEA)

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