UCSF

ZINC32215452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.18 9.51 -49.04 3 3 1 48 311.449 7
Mid Mid (pH 6-8) 3.18 9.13 -9.42 2 3 0 46 310.441 7

Activity (Go SEA)

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