UCSF

ZINC04004201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 27 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) 3.57 12.42 -50.54 1 7 1 66 376.525 7
Hi High (pH 8-9.5) 3.57 10.14 -8.72 0 7 0 65 375.517 7

Activity (Go SEA)

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