UCSF

ZINC32744496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.25 11.09 -10.05 0 4 0 37 396.437 4
Mid Mid (pH 6-8) 4.25 12.66 -52.82 1 4 1 38 397.445 4

Activity (Go SEA)

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