UCSF

ZINC08914197

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 3.62 9.85 -53.63 0 8 -1 109 481.481 7
Mid Mid (pH 6-8) 4.07 9.84 -22.16 1 8 0 106 482.489 6

Activity (Go SEA)

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