UCSF

ZINC59969999

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 19 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) -1.22 8.39 -37.75 0 6 0 75 268.313 4
Hi High (pH 8-9.5) -0.48 7.28 -65.3 0 6 -1 81 267.305 3
Hi High (pH 8-9.5) -1.21 7.3 -64.28 0 6 -1 81 267.305 4

Activity (Go SEA)

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