UCSF

ZINC42495525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.69 4.1 -12.2 1 5 0 63 224.26 5
Hi High (pH 8-9.5) 0.69 2.9 -31.94 1 5 0 67 224.26 5
Mid Mid (pH 6-8) 0.69 5.11 -56.73 0 5 -1 65 223.252 5
Lo Low (pH 4.5-6) 0.69 2.23 -40.02 2 5 1 64 225.268 5

Activity (Go SEA)

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