UCSF

ZINC18202410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 32 Yes

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) 4.47 8.94 -11.62 1 6 0 61 461.875 5
Mid Mid (pH 6-8) 4.47 9.15 -42.2 2 6 1 63 462.883 5
Mid Mid (pH 6-8) 4.47 9.14 -41.13 2 6 1 63 462.883 5

Activity (Go SEA)

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