UCSF

ZINC13756234

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 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) 0.24 6.4 -68.85 2 7 -1 110 306.39 6
Mid Mid (pH 6-8) 0.24 5.45 -45.06 3 7 0 111 307.398 6

Activity (Go SEA)

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