UCSF

ZINC37188728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.45 9.09 -31.34 2 2 1 16 323.551 8
Hi High (pH 8-9.5) 4.45 7.03 -3.07 1 2 0 15 322.543 8

Activity (Go SEA)

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