UCSF

ZINC06507108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 23 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) 2.74 9.71 -47.44 2 5 1 59 314.409 6
Hi High (pH 8-9.5) 2.74 9.03 -8.1 1 5 0 58 313.401 6

Activity (Go SEA)

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