UCSF

ZINC20131822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 18 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) 3.05 5.95 -17.83 1 4 0 51 284.768 4
Hi High (pH 8-9.5) 3.24 4.88 -39.65 0 4 -1 58 283.76 4

Activity (Go SEA)

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