UCSF

ZINC42581314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.24 9.51 -9.78 1 3 0 34 253.415 3
Hi High (pH 8-9.5) 3.97 9.62 -47.56 0 3 -1 31 252.407 3

Activity (Go SEA)

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