UCSF

ZINC37220403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 5.82 9.23 -33.27 2 2 1 20 271.513 12
Hi High (pH 8-9.5) 5.82 10.22 -29.79 2 2 1 16 271.513 12
Mid Mid (pH 6-8) 5.82 11.24 -110.69 3 2 2 21 272.521 12

Activity (Go SEA)

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