UCSF

ZINC03877507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 7.02 -1.06 -34.5 1 6 -1 97 464.526 6
Mid Mid (pH 6-8) 7.02 -0.87 -19.7 2 6 0 98 465.534 6

Activity (Go SEA)

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