UCSF

ZINC39377048

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 28 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) 4.69 11.97 -52 1 4 1 42 509.262 8
Mid Mid (pH 6-8) 4.69 9.7 -10.22 0 4 0 41 508.254 8

Activity (Go SEA)

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