UCSF

ZINC02191053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 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) 0.80 -2.78 -10.41 2 8 0 93 281.316 6
Mid Mid (pH 6-8) 0.80 -2.51 -41.21 3 8 1 95 282.324 6

Activity (Go SEA)

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