UCSF

ZINC37670532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 12 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) 2.39 5.78 -24.75 2 2 1 26 165.26 4
Hi High (pH 8-9.5) 2.39 5.34 -4.32 1 2 0 25 164.252 4

Activity (Go SEA)

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