UCSF

ZINC27932392

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 23 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) 1.58 8.4 -47.74 1 5 1 43 319.425 5
Mid Mid (pH 6-8) 1.58 6.14 -10.4 0 5 0 42 318.417 5

Activity (Go SEA)

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