UCSF

ZINC36617159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 3.48 9.39 -66.44 1 10 -1 150 424.389 7
Mid Mid (pH 6-8) 3.48 10.31 -96.07 0 10 -2 153 423.381 7

Activity (Go SEA)

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