UCSF

ZINC33742212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 32 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) 6.89 13.64 -19.33 1 6 0 75 477.074 11
Hi High (pH 8-9.5) 7.07 12.56 -39.41 0 6 -1 82 476.066 11

Activity (Go SEA)

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