UCSF

ZINC01053133

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 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) 4.80 13.81 -9.13 2 8 0 84 372.473 7
Lo Low (pH 4.5-6) 4.80 13.69 -23.31 3 8 1 86 373.481 7
Lo Low (pH 4.5-6) 4.80 14.34 -24.56 3 8 1 86 373.481 7

Activity (Go SEA)

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