UCSF

ZINC06312948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 25 No

Download: MOL2 SDF SMILES Flexibase

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) 5.15 9.69 -9.76 1 4 0 62 373.239 6
Mid Mid (pH 6-8) 5.34 8.21 -41.64 0 4 -1 68 372.231 6

Activity (Go SEA)

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