UCSF

ZINC43405472

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.34 2.89 -101.11 6 5 2 88 276.384 3
Hi High (pH 8-9.5) 1.34 2.38 -21.88 5 5 1 86 275.376 3
Mid Mid (pH 6-8) 1.34 2.49 -58.59 5 5 1 87 275.376 3

Activity (Go SEA)

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