UCSF

ZINC36646093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 Yes

Other Names:

MFCD15782573

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) 2.63 8.5 -49.1 2 7 1 86 357.452 10
Hi High (pH 8-9.5) 2.63 6.23 -10.44 1 7 0 85 356.444 10

Activity (Go SEA)

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