UCSF

ZINC40137441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 4.97 9.42 -16.88 2 7 0 93 415.449 6
Hi High (pH 8-9.5) 4.97 10.43 -64.11 1 7 -1 96 414.441 6

Activity (Go SEA)

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