UCSF

ZINC35017534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.21 9.93 -51.6 2 4 1 44 288.415 9
Hi High (pH 8-9.5) 2.21 8.58 -7.43 1 4 0 39 287.407 9
Mid Mid (pH 6-8) 2.21 10.45 -89.12 3 4 2 45 289.423 9

Activity (Go SEA)

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