UCSF

ZINC35910299

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 5.57 11.5 -13.7 1 4 0 55 383.542 6
Hi High (pH 8-9.5) 5.64 9.84 -49.37 0 4 -1 61 382.534 6

Activity (Go SEA)

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