UCSF

ZINC08845462

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 36 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) 3.99 8.79 -16.04 2 8 0 101 484.556 9
Mid Mid (pH 6-8) 3.99 9.55 -55.64 1 8 -1 103 483.548 9
Lo Low (pH 4.5-6) 3.99 9.94 -54.43 3 8 1 102 485.564 9

Activity (Go SEA)

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