UCSF

ZINC32501369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.00 7.67 -52.64 1 6 1 56 413.519 4
Mid Mid (pH 6-8) 3.00 4.75 -10.16 0 6 0 55 412.511 4
Lo Low (pH 4.5-6) 3.00 7.16 -50.09 1 6 1 56 413.519 4

Activity (Go SEA)

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