UCSF

ZINC13551089

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 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) 4.12 10.97 -54.74 0 9 -1 125 481.525 11
Mid Mid (pH 6-8) 4.57 11.73 -14.35 1 9 0 122 482.533 10

Activity (Go SEA)

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