UCSF

ZINC36124608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 2.17 7.45 -43.04 1 4 1 28 284.468 6
Mid Mid (pH 6-8) 2.17 9.45 -109.2 2 4 2 29 285.476 6

Activity (Go SEA)

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