UCSF

ZINC32103576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 2.70 6.2 -11.28 0 3 0 36 248.301 4
Mid Mid (pH 6-8) 2.70 8.58 -49.72 1 3 1 37 249.309 4

Activity (Go SEA)

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