UCSF

ZINC39898980

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 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) 4.76 7.52 -13.82 3 7 0 99 496.35 5
Mid Mid (pH 6-8) 4.76 8.29 -48.47 2 7 -1 102 495.342 5

Activity (Go SEA)

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