UCSF

ZINC36877547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 1.75 7.11 -52.38 4 4 1 66 288.415 7
Hi High (pH 8-9.5) 1.75 6.86 -7.34 3 4 0 64 287.407 7
Mid Mid (pH 6-8) 1.75 6.87 -121.03 5 4 2 67 289.423 7

Activity (Go SEA)

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