UCSF

ZINC33938624

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 26 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) 2.00 6.43 -11.7 1 7 0 85 360.41 6
Lo Low (pH 4.5-6) 2.00 6.4 -43.67 2 7 1 90 361.418 6

Activity (Go SEA)

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