UCSF

ZINC16730395

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 4.72 13.03 -38.8 0 7 -1 100 509.51 8
Mid Mid (pH 6-8) 5.17 11.68 -26.93 1 7 0 97 510.518 7
Mid Mid (pH 6-8) 4.14 12.67 -18.87 0 7 0 94 510.518 8

Activity (Go SEA)

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