UCSF

ZINC34463540

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 29 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) 4.63 14.11 -54.36 0 4 -1 56 385.418 4
Lo Low (pH 4.5-6) 4.63 14.42 -48.85 1 4 0 58 386.426 4

Activity (Go SEA)

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