UCSF

ZINC09046306

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 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) 3.15 9.69 -77.11 1 8 0 93 468.55 11
Mid Mid (pH 6-8) 3.60 8.97 -47.03 2 8 1 90 469.558 10

Activity (Go SEA)

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