UCSF

ZINC00799508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 26 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) 4.69 13.69 -48.29 0 4 -1 58 361.446 6
Lo Low (pH 4.5-6) 4.69 14.14 -44.82 1 4 0 59 362.454 6

Activity (Go SEA)

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