UCSF

ZINC11914606

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 29 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) 2.56 -0.97 -14.69 2 6 0 87 397.402 8
Mid Mid (pH 6-8) 1.98 -1.14 -19.56 1 6 0 84 397.402 8

Activity (Go SEA)

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