UCSF

ZINC42467956

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.86 3.29 -37.62 3 3 1 40 255.407 8
Hi High (pH 8-9.5) 0.86 1.87 -2.95 2 3 0 35 254.399 8
Mid Mid (pH 6-8) 0.86 5.88 -36.67 3 3 1 44 255.407 8

Activity (Go SEA)

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