UCSF

ZINC35760409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 36 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) 6.47 13.83 -35.84 3 6 1 75 505.708 9
Mid Mid (pH 6-8) 6.47 13.41 -15.57 2 6 0 74 504.7 9

Activity (Go SEA)

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