UCSF

ZINC32267772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 28 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) 3.84 6.59 -7.64 1 4 0 42 412.374 7
Mid Mid (pH 6-8) 3.84 8.67 -46.07 2 4 1 43 413.382 7

Activity (Go SEA)

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