UCSF

ZINC06190410

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 30 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) 8.07 16.82 -10.11 0 1 0 13 383.494 4
Lo Low (pH 4.5-6) 8.07 16.97 -33.67 1 1 1 14 384.502 4

Activity (Go SEA)

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