UCSF

ZINC06388488

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 27 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) 3.44 3.82 -15.71 1 7 0 80 384.461 7
Lo Low (pH 4.5-6) 3.44 4.57 -85.71 2 7 0 82 385.469 7

Activity (Go SEA)

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