UCSF

ZINC70460335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 17 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) 0.74 4.69 -13.07 1 5 0 56 272.351 4
Mid Mid (pH 6-8) 1.20 3.27 -45.35 0 5 -1 59 271.343 4

Activity (Go SEA)

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