UCSF

ZINC36982216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.24 7.49 -29.8 2 4 1 42 269.372 4
Hi High (pH 8-9.5) 2.24 7.01 -7.89 1 4 0 41 268.364 4
Lo Low (pH 4.5-6) 2.24 7.94 -75.86 3 4 2 44 270.38 4

Activity (Go SEA)

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