UCSF

ZINC08609782

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2007 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) 3.78 8.21 -13.75 2 5 0 67 421.444 8
Lo Low (pH 4.5-6) 3.78 8.69 -39.66 3 5 1 68 422.452 8

Activity (Go SEA)

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