UCSF

ZINC26717251

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 30 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) 0.01 6.37 -99.65 3 7 0 102 429.37 5
Hi High (pH 8-9.5) 0.01 6.18 -66.76 2 7 -1 101 428.362 5
Mid Mid (pH 6-8) -2.74 5.41 -73.14 4 7 1 105 430.378 4

Activity (Go SEA)

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