UCSF

ZINC40118609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 2.05 7.59 -45 2 7 1 68 385.488 7
Hi High (pH 8-9.5) 2.05 5.35 -11.14 1 7 0 67 384.48 7
Mid Mid (pH 6-8) 2.05 7.89 -102.65 3 7 2 69 386.496 7
Mid Mid (pH 6-8) 2.05 5.66 -38.54 2 7 1 68 385.488 7

Activity (Go SEA)

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