UCSF

ZINC44713476

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 No

Other Names:

MFCD11039716

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) 2.27 8.03 -49.94 1 5 1 53 236.295 2
Mid Mid (pH 6-8) 2.27 5.67 -7.25 0 5 0 52 235.287 2

Activity (Go SEA)

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