UCSF

ZINC09707510

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 33 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) 3.95 2.73 -10.57 0 8 0 77 450.449 4
Mid Mid (pH 6-8) 3.95 3.04 -40.99 1 8 1 78 451.457 4

Activity (Go SEA)

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