UCSF

ZINC36950465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 0.93 2.52 -83.07 4 4 2 45 245.411 7
Mid Mid (pH 6-8) 0.93 0.26 -36.7 3 4 1 43 244.403 7

Activity (Go SEA)

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