UCSF

ZINC13594057

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) 1.71 5.43 -41.07 2 7 1 80 314.406 7
Mid Mid (pH 6-8) 1.89 2.95 -39.45 1 7 0 86 313.398 7

Activity (Go SEA)

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