UCSF

ZINC34963152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.24 7.62 -48.76 0 4 -1 58 251.331 3
Lo Low (pH 4.5-6) 3.24 7.73 -49.06 1 4 0 59 252.339 3

Activity (Go SEA)

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