UCSF

ZINC62690422

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 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) 2.16 7.28 -10.33 0 6 0 51 384.476 6
Mid Mid (pH 6-8) 2.16 9.44 -47.37 1 6 1 52 385.484 6

Activity (Go SEA)

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