UCSF

ZINC00700772

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 37 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) 4.23 7.93 -16.52 1 8 0 82 525.671 13
Lo Low (pH 4.5-6) 4.23 10.21 -64.65 2 8 1 83 526.679 13

Activity (Go SEA)

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