UCSF

ZINC59862280

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 29 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) 2.48 3.34 -50 1 8 -1 114 395.391 4
Hi High (pH 8-9.5) 2.48 4.37 -114.98 0 8 -2 117 394.383 4
Mid Mid (pH 6-8) 2.03 5.8 -14.32 2 8 0 111 396.399 4

Activity (Go SEA)

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