UCSF

ZINC22743853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 3.42 6.38 -14.95 2 5 0 75 362.426 5
Mid Mid (pH 6-8) 3.42 6.45 -46.16 1 5 -1 77 361.418 5

Activity (Go SEA)

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