UCSF

ZINC01672273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 3.95 -7 -19.25 2 6 0 92 410.561 8
Hi High (pH 8-9.5) 3.95 -5.85 -101.72 0 6 -2 96 408.545 8
Hi High (pH 8-9.5) 3.95 -6.42 -49.15 1 6 -1 94 409.553 8

Activity (Go SEA)

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