UCSF

ZINC36996795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.27 7.6 -35.32 2 3 1 29 302.467 3
Lo Low (pH 4.5-6) 3.27 6.36 -36.76 2 3 1 33 302.467 3

Activity (Go SEA)

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