UCSF

ZINC20873514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 2.33 3.74 -12.49 2 6 0 63 383.92 9
Mid Mid (pH 6-8) 2.33 5.14 -44.11 3 6 1 67 384.928 9
Lo Low (pH 4.5-6) 2.33 6.06 -38.96 3 6 1 64 384.928 9

Activity (Go SEA)

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