UCSF

ZINC33781374

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 19 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) 1.83 6.04 -114.46 1 5 -2 92 393.031 4
Mid Mid (pH 6-8) 1.83 5.21 -56.17 2 5 -1 89 394.039 4

Activity (Go SEA)

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