UCSF

ZINC24985801

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 31 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) 0.81 4.76 -45.33 4 9 1 110 428.513 5
Hi High (pH 8-9.5) 0.81 4.28 -16.52 3 9 0 109 427.505 5
Mid Mid (pH 6-8) 0.81 5.47 -55.71 4 9 1 113 428.513 5

Activity (Go SEA)

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