UCSF

ZINC09087589

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 20 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) 0.99 7.42 -34.81 1 6 0 85 275.26 5
Hi High (pH 8-9.5) 2.29 7 -42.9 0 6 -1 89 274.252 5

Activity (Go SEA)

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