UCSF

ZINC02503596

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 20 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) 3.40 6.23 -52.92 0 5 -1 74 293.368 6
Lo Low (pH 4.5-6) 3.40 6.23 -12.81 1 5 0 72 294.376 6

Activity (Go SEA)

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