UCSF

ZINC08845443

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) 4.04 8.92 -14.58 2 8 0 97 477.561 12
Mid Mid (pH 6-8) 4.04 9.68 -54.38 1 8 -1 100 476.553 12

Activity (Go SEA)

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