UCSF

ZINC43915867

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) 1.96 3.88 -38.09 2 5 1 48 281.376 8
Hi High (pH 8-9.5) 1.96 2.99 -5.85 1 5 0 43 280.368 8
Mid Mid (pH 6-8) 1.96 4.83 -41.42 2 5 1 44 281.376 8

Activity (Go SEA)

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