UCSF

ZINC36732312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 No

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) 0.16 1.69 -74.86 5 7 1 126 240.239 5
Hi High (pH 8-9.5) 0.16 1.29 -21.26 4 7 0 124 239.231 5

Activity (Go SEA)

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