UCSF

ZINC34964338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) 1.46 2.73 -8.04 1 3 0 42 198.291 3
Hi High (pH 8-9.5) 2.19 2.01 -39.44 0 3 -1 39 197.283 3

Activity (Go SEA)

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