UCSF

ZINC33809606

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 26 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) 4.21 9.85 -32.85 1 6 0 81 431.267 3
Hi High (pH 8-9.5) 4.28 8.94 -54.47 0 6 -1 88 430.259 3

Activity (Go SEA)

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