UCSF

ZINC09882210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 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) 1.40 -11 -19.42 2 9 0 121 465.553 7
Hi High (pH 8-9.5) 1.40 -10.42 -50.44 1 9 -1 123 464.545 7

Activity (Go SEA)

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