UCSF

ZINC37095966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.40 4.41 -97.97 4 3 2 41 216.369 8
Hi High (pH 8-9.5) 1.40 5.02 -36.82 3 3 1 44 215.361 8
Hi High (pH 8-9.5) 1.40 3.15 -32.08 3 3 1 37 215.361 8

Activity (Go SEA)

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