UCSF

ZINC36780924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.52 1.74 -43.29 4 5 1 75 267.349 7
Hi High (pH 8-9.5) 2.52 0.65 -11.37 3 5 0 71 266.341 7

Activity (Go SEA)

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