UCSF

ZINC34683528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.80 14.03 -53.12 1 3 1 25 463.52 6
Mid Mid (pH 6-8) 5.80 12.75 -9.42 0 3 0 24 462.512 6

Activity (Go SEA)

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