UCSF

ZINC13548067

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 3.06 11.99 -61.9 1 8 0 111 423.469 8
Mid Mid (pH 6-8) 3.06 11.48 -53.9 2 8 1 108 424.477 8
Mid Mid (pH 6-8) 2.48 11.86 -55.11 1 8 1 105 424.477 8

Activity (Go SEA)

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