UCSF

ZINC16731110

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 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) 4.86 10.57 -17.58 1 5 0 71 460.288 5
Mid Mid (pH 6-8) 4.27 11.26 -24.88 0 5 0 68 460.288 5

Activity (Go SEA)

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