UCSF

ZINC08744506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 27 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) 3.44 6.55 -51.85 0 6 -1 78 362.409 3
Mid Mid (pH 6-8) 2.99 9.04 -10.89 1 6 0 75 363.417 3

Activity (Go SEA)

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