UCSF

ZINC36396787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 1.87 4.98 -13.12 2 6 0 74 314.389 3
Mid Mid (pH 6-8) 1.87 5.3 -43.45 3 6 1 76 315.397 3

Activity (Go SEA)

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