UCSF

ZINC31903205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 31 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) 3.14 5.93 -19.94 4 8 0 127 451.533 6
Mid Mid (pH 6-8) 3.32 5.95 -24.64 4 8 0 130 451.533 5
Mid Mid (pH 6-8) 3.14 5.48 -58.25 3 8 -1 129 450.525 6

Activity (Go SEA)

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