UCSF

ZINC06147528

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) 4.81 12.4 -18.37 1 4 0 47 373.481 6
Lo Low (pH 4.5-6) 4.81 12.83 -36.03 2 4 1 48 374.489 6

Activity (Go SEA)

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