UCSF

ZINC20590352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 2.99 8.43 -63.52 1 6 1 56 373.473 5
Hi High (pH 8-9.5) 2.99 5.53 -13.57 0 6 0 55 372.465 5
Mid Mid (pH 6-8) 2.99 7.7 -52.58 1 6 1 56 373.473 5

Activity (Go SEA)

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