UCSF

ZINC53632974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 30 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) 1.99 8.04 -63.41 4 9 1 115 427.51 8
Mid Mid (pH 6-8) 1.99 7.57 -26.47 3 9 0 114 426.502 8

Activity (Go SEA)

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