UCSF

ZINC04157712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 37 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) 6.89 14.04 -38.01 2 7 1 83 522.691 9
Hi High (pH 8-9.5) 6.89 13.69 -15.65 1 7 0 82 521.683 9
Mid Mid (pH 6-8) 6.89 14.15 -105.81 3 7 2 88 523.699 9

Activity (Go SEA)

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