UCSF

ZINC36618854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 3.89 7.24 -11.51 3 7 0 114 400.438 4
Mid Mid (pH 6-8) 3.89 6.23 -10.71 3 7 0 114 400.438 4
Lo Low (pH 4.5-6) 3.89 6.65 -51.88 4 7 1 116 401.446 4

Activity (Go SEA)

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