UCSF

ZINC43915203

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.74 3.04 -33.4 2 5 1 48 283.392 9
Hi High (pH 8-9.5) 1.74 2.48 -5.26 1 5 0 43 282.384 9
Mid Mid (pH 6-8) 1.74 4.11 -30.33 2 5 1 44 283.392 9

Activity (Go SEA)

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