UCSF

ZINC14010776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 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) 0.56 3.71 -97.18 0 10 -2 147 398.327 7
Mid Mid (pH 6-8) 0.10 6.38 -56.3 1 10 -1 144 399.335 7

Activity (Go SEA)

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