UCSF

ZINC32158877

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 1.27 6.95 -51.1 0 6 -1 79 294.327 8
Lo Low (pH 4.5-6) 1.27 5.83 -11.59 1 6 0 76 295.335 8

Activity (Go SEA)

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