UCSF

ZINC42697502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.86 10.61 -43.54 2 5 1 50 369.464 4
Mid Mid (pH 6-8) 2.86 8.24 -10.34 1 5 0 48 368.456 4

Activity (Go SEA)

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