UCSF

ZINC59165579

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 28 No

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) 3.44 8.19 -18.7 2 9 0 129 382.376 5
Mid Mid (pH 6-8) 3.90 6.43 -38.47 1 9 -1 132 381.368 5

Activity (Go SEA)

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