UCSF

ZINC37266342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 No

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) -1.21 4.69 -49.04 3 5 1 60 288.437 7
Hi High (pH 8-9.5) -1.21 2.47 -13.9 2 5 0 59 287.429 7

Activity (Go SEA)

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