UCSF

ZINC29835107

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 28 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) 3.34 11.2 -12.09 1 6 0 71 461.385 8
Hi High (pH 8-9.5) 3.79 10.36 -47.62 0 6 -1 74 460.377 8

Activity (Go SEA)

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