UCSF

ZINC36977401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 0.38 2.79 -38.17 3 4 1 59 240.352 3
Mid Mid (pH 6-8) 0.38 2.53 -7.59 2 4 0 54 239.344 3

Activity (Go SEA)

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