UCSF

ZINC35033979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) 3.40 11.31 -46.7 1 5 1 43 401.502 7
Hi High (pH 8-9.5) 3.40 9.26 -13.57 0 5 0 42 400.494 7

Activity (Go SEA)

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