UCSF

ZINC16700829

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 30 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) 3.87 8.76 -58.49 0 6 -1 79 473.343 9
Mid Mid (pH 6-8) 4.32 7.71 -29.17 1 6 0 76 474.351 8
Mid Mid (pH 6-8) 3.29 8.69 -24.71 0 6 0 73 474.351 9

Activity (Go SEA)

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