UCSF

ZINC45162964

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 26 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) 3.00 4.89 -8.54 1 4 0 42 384.32 7
Mid Mid (pH 6-8) 3.00 7.18 -47.1 2 4 1 43 385.328 7

Activity (Go SEA)

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