UCSF

ZINC32128809

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 No

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) 3.57 5.83 -7.26 0 4 0 48 283.327 6
Lo Low (pH 4.5-6) 3.57 6.91 -47.57 1 4 1 50 284.335 6

Activity (Go SEA)

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