UCSF

ZINC50889007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2010 13 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) 2.52 4.15 -36.67 2 2 1 20 185.335 5
Hi High (pH 8-9.5) 2.52 2.94 -0.6 1 2 0 15 184.327 5
Mid Mid (pH 6-8) 2.52 5.15 -30.48 2 2 1 16 185.335 5

Activity (Go SEA)

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