UCSF

ZINC32114752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.18 5.65 -48.03 3 3 1 48 267.418 4
Mid Mid (pH 6-8) 2.18 5.26 -7.94 2 3 0 46 266.41 4

Activity (Go SEA)

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