UCSF

ZINC08845541

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 Yes

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) 3.40 7.41 -14.84 2 8 0 97 451.523 10
Mid Mid (pH 6-8) 3.40 8.18 -54.78 1 8 -1 100 450.515 10

Activity (Go SEA)

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